SCHEMBL403441

SCHEMBL403441

CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 7/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 4/20 0.58
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL404368 0.86 NPC1 (0.63) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL2679067 0.81 NPC1 (0.73) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL405087 0.79 NPC1 (0.69) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL7302228 0.79 RAB9A (0.69) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL94560 0.78 NPC1 (0.73) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8770633 0.78 NPC1 (0.80) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL27297356 0.78 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2920230 0.77 NPC1 (0.74) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL10880536 0.76 NPC1 (0.78) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL8361562 0.76 NPC1 (0.78) NPC1RAB9ATP53ALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
WO-2010111653-A2 MODULATING IRES-MEDIATED TRANSLATION THE UAB RESEARCH FOUNDATION (US) 2010-09-30 WO 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 (2 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-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION EIF2AK2, EIF4EBP1, EIF4E NPC1 2519/4885RAB9A 2106/4885TP53 525/4885
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM EIF2AK2, RPS25, RPL35 NPC1 859/4885RAB9A 2752/4885TP53 1959/4885

“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.