SCHEMBL9475498

SCHEMBL9475498

NC(=O)c1nnn(Cc2cccc(F)c2)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.57
GALR3 O60755 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
NR2F2 P24468 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP1A2 P05177 1/20 0.51
TP53 P04637 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
GRM2 Q14416 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17283080 0.88 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10668976 0.84 MAPT (0.67) SMN1; SMN2KDM4EALDH1A1HSD17B10LMNA
SCHEMBL11117622 0.84 MAPT (0.67) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9477980 0.84 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL9475525 0.83 POLB (0.62) NPC1RAB9ASMN1; SMN2HPGDGALR3
SCHEMBL11245223 0.83 HPGD (0.80) SMN1; SMN2KDM4EHSD17B10HPGDGALR3
SCHEMBL10419778 0.80 HPGD (0.55) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9476992 0.80 CA5A (0.53) SMN1; SMN2ALDH1A1HPGDGALR3CYP3A4
SCHEMBL16179036 0.79 HSD17B10 (0.58) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7265939 0.77 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050994-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY 2018-02-22 US disclosed
US-20180050994-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY 2018-02-22 US disclosed
US-9771335-B2 Derivatives of rufinamide and their use in inhibtion of the activation of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-9771335-B2 Derivatives of rufinamide and their use in inhibtion of the activation of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
WO-2017147379-A1 PHARMACOLOGICAL MODULATORS OF NAV1.1 VOLTAGE-GATED SODIUM CHANNELS ASSOCIATED WITH MECHANICAL PAIN THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-31 WO disclosed
WO-2017023739-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 WO disclosed
WO-2017023739-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 WO disclosed
US-20170029382-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS AES GLOBAL HOLDINGS, PTE. LTD. (SG) 2017-02-02 US disclosed
US-20170029382-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS AES GLOBAL HOLDINGS, PTE. LTD. (SG) 2017-02-02 US disclosed
US-9505727-B2 Rufinamide and derivatives and their use in modulating the gating process of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-9505727-B2 Rufinamide and derivatives and their use in modulating the gating process of human voltage-gated sodium channels THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150368211-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS UNIV JOHNS HOPKINS (US) 2015-12-24 US disclosed
US-20150368211-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS UNIV JOHNS HOPKINS (US) 2015-12-24 US disclosed
US-20150336904-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS UNIV JOHNS HOPKINS (US) 2015-11-26 US disclosed
US-20150336904-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS UNIV JOHNS HOPKINS (US) 2015-11-26 US disclosed
WO-2014120994-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 WO disclosed
WO-2014120994-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 WO disclosed
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170029382-A1 DERIVATIVES OF RUFINAMIDE AND THEIR USE IN INHIBTION OF THE ACTIVATION OF HUMAN VOLTAGE-GATED SODIUM CHANNELS SCN1A, HVCN1, SCN1B NPC1 1737/4885RAB9A 1001/4885SMN1; SMN2 843/4885
US-20150368211-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS SCN1A, SCN1B, SCN3A NPC1 999/4885RAB9A 1507/4885SMN1; SMN2 291/4885
US-20180050994-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS SCN1A, SCN1B, CACNA1S NPC1 1312/4885RAB9A 1828/4885SMN1; SMN2 269/4885
US-20150336904-A1 RUFINAMIDE AND DERIVATIVES AND THEIR USE IN MODULATING THE GATING PROCESS OF HUMAN VOLTAGE-GATED SODIUM CHANNELS HVCN1, SCN1A, HCN1 NPC1 1703/4885RAB9A 763/4885SMN1; SMN2 900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.