SCHEMBL7900640

SCHEMBL7900640

Cc1ccnc(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
PKM P14618 3/20 0.65
TP53 P04637 2/20 0.63
MAPT P10636 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 2/20 0.57
SORT1 Q99523 1/20 0.56
DEGS1 O15121 1/20 0.56
MITF O75030 1/20 0.55
XBP1 P17861 1/20 0.55
HTT P42858 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
SCHEMBL16604283 0.88 NPC1 (0.76) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL20016216 0.87 RAB9A (0.58) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL17675306 0.85 NPC1 (0.72) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL21349103 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL16594545 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL26293792 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL26074395 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL17065565 0.83 NPC1 (0.89) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL2176413 0.83 NPC1 (0.89) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL4915077 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PKMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2019-04-30 US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
WO-2010088414-A2 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 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 (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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 NPC1 4713/4885RAB9A 1217/4885SMN1; SMN2 2432/4885
US-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions GRIN1, GRIN2A, GRIN2B NPC1 970/4885RAB9A 727/4885SMN1; SMN2 454/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B NPC1 970/4885RAB9A 727/4885SMN1; SMN2 454/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B NPC1 970/4885RAB9A 727/4885SMN1; SMN2 454/4885

“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.