SCHEMBL1108963

SCHEMBL1108963

Cc1nc2cc(C(=O)c3cccs3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 3/20 0.54
ABL1 P00519 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
GMNN O75496 1/20 0.54
TUBB4A P04350 1/20 0.54
CYP1A2 P05177 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOA P21397 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 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
SCHEMBL4204424 0.83 NPC1 (0.64) NPC1ALDH1A1CYP2C9ABL1HTT
SCHEMBL774946 0.81 NPC1 (0.48) NPC1ALDH1A1CYP2C9ABL1HTT
SCHEMBL11258664 0.80 NPC1 (0.58) NPC1ALDH1A1CYP2C9ABL1HTT
SCHEMBL21981201 0.80 NPC1 (0.50) NPC1ALDH1A1CYP2C9ABL1HTT
Nocodazole SCHEMBL8009081 0.80 ABL1 (0.84) NPC1ALDH1A1CYP2C9ABL1HTT
Nocodazole SCHEMBL9477 0.80 ABL1 (0.84) NPC1ALDH1A1CYP2C9ABL1HTT
Nocodazole SCHEMBL29360101 0.80 ABL1 (0.84) NPC1ALDH1A1CYP2C9ABL1HTT
SCHEMBL7896205 0.79 CHEK2 (0.50) NPC1ALDH1A1CYP2C9ABL1HTT
SCHEMBL1108966 0.79 ALDH1A1 (0.78) ALDH1A1CYP2C9ABL1HTTLMNA
Nocodazole SCHEMBL7615542 0.79 ABL1 (0.82) NPC1ALDH1A1CYP2C9ABL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 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-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 NPC1 2637/4885ALDH1A1 3307/4885CYP2C9 2541/4885

“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.