SCHEMBL7989436

SCHEMBL7989436

CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 6/20 0.79
LMNA P02545 1/20 0.75
FGFR1 P11362 7/20 0.69
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
ADRA2B P18089 1/20 0.67
TP53 P04637 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
Hydrochloric Acid SCHEMBL7976246 0.99 NPC1 (0.97) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL7987076 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAFGFR1
Hydrochloric Acid SCHEMBL7990425 0.85 RAB9A (0.98) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL7986579 0.83 RAB9A (0.71) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL4503339 0.83 NPC1 (0.70) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL13305038 0.83 RAB9A (0.77) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL7989417 0.82 FGFR1 (1.00) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL23657668 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL13305064 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2LMNAFGFR1
SCHEMBL22930416 0.79 MAPT (1.00) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US 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 (1 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 NPC1 1400/4885RAB9A 1619/4885SMN1; SMN2 2563/4885

“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.