SCHEMBL12136753

SCHEMBL12136753

CCCc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ TP53 P04637 1/20 0.63
▸ PTPN1 P18031 2/20 0.56
▸ PTPN6 P29350 1/20 0.56
▸ PTPN11 Q06124 1/20 0.56
▸ PTPN2 P17706 1/20 0.54
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ THRB P10828 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ TRPV1 Q8NER1 4/20 0.50

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
SCHEMBL5339874 0.83 TRPV1 (0.61) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL14083028 0.83 RAB9A (0.61) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL5934345 0.82 PTPN1 (0.59) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083026 0.80 NPC1 (0.60) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL10348208 0.79 RAB9A (0.78) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL14083004 0.78 MAPT (0.63) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083013 0.78 P4HTM (0.64) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083001 0.78 RAB9A (0.60) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083014 0.76 RAB9A (0.55) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL4917979 0.76 SCD (0.63) SMN1; SMN2NPC1RAB9ATP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 — — 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO SMN1; SMN2 2484/4885NPC1 1048/4885RAB9A 990/4885

“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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