SCHEMBL16017722

SCHEMBL16017722

Cc1cccc(C(C)N2CCC(Nc3ncccc3C(=O)Nc3cccc(Cl)c3)CC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDR P35968 1/20 0.45
▸ ACKR3 P25106 9/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ GRM4 Q14833 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39

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
SCHEMBL16007576 0.83 KDR (0.51) NPC1RAB9AKDRACKR3SMN1; SMN2
SCHEMBL16007186 0.82 KDR (0.54) NPC1RAB9AKDRSMN1; SMN2TP53
SCHEMBL16007848 0.82 KDR (0.49) NPC1RAB9AKDRSMN1; SMN2TP53
SCHEMBL16007712 0.82 NPC1 (0.43) NPC1RAB9AKDRACKR3SMN1; SMN2
SCHEMBL16007458 0.81 NPC1 (0.43) NPC1RAB9AKDRACKR3SMN1; SMN2
SCHEMBL16017750 0.80 KDR (0.47) NPC1RAB9AKDRACKR3SMN1; SMN2
SCHEMBL16007711 0.77 KDR (0.57) NPC1RAB9AKDRSMN1; SMN2TP53
SCHEMBL16007606 0.77 KDR (0.53) NPC1RAB9AKDRACKR3SMN1; SMN2
Diethylamine SCHEMBL16007729 0.77 KDR (0.51) NPC1RAB9AKDRACKR3SMN1; SMN2
SCHEMBL16007647 0.77 ACKR3 (0.56) NPC1RAB9AKDRACKR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 — — 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-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same VEGFA, EDF1, FLT1 NPC1 2111/4885RAB9A 743/4885KDR 4/4885

“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.

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