SCHEMBL2997883

SCHEMBL2997883

CCOC(=O)c1[nH]c2ccc(C(=O)Nc3cccnc3)cc2c1CCCCl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
MAPK1 P28482 4/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPKAPK2 P49137 4/20 0.47
MAP2K1 Q02750 1/20 0.47
TRPV1 Q8NER1 4/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL2993892 0.91 HTR6 (0.49) NPC1MAPK1TSHRMAPTALDH1A1
SCHEMBL1345394 0.79 MAPKAPK2 (0.52) NPC1MAPK1MAPKAPK2MAP2K1TRPV1
SCHEMBL12131763 0.79 HTR6 (0.51) NPC1MAPK1MAPTALDH1A1RAB9A
SCHEMBL12131764 0.78 HTR6 (0.53) NPC1MAPK1MAPTALDH1A1RAB9A
SCHEMBL3000961 0.74 HTR6 (0.53) NPC1MAPK1MAPTALDH1A1RAB9A
SCHEMBL2990204 0.74 NAMPT (0.52) NPC1MAPK1TSHRMAPTALDH1A1
SCHEMBL1345624 0.74 MAPT (0.47) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1343706 0.72 MAPKAPK2 (0.44) NPC1MAPK1MAPKAPK2MAP2K1
SCHEMBL1345952 0.70 MAPT (0.50) NPC1MAPTMAPKAPK2RAB9A
SCHEMBL12131765 0.68 NQO2 (0.53) NPC1MAPK1MAPTALDH1A1RAB9A

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 NPC1 4214/4885MAPK1 33/4885TSHR 3572/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 NPC1 4214/4885MAPK1 33/4885TSHR 3572/4885

“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.