SCHEMBL12136750

SCHEMBL12136750

CCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TRPV1 Q8NER1 8/20 0.51
▸ MAPT P10636 4/20 0.51
▸ PLK1 P53350 2/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47

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
SCHEMBL14083005 0.89 MAPT (0.53) SMN1; SMN2NPC1RAB9ATRPV1MAPT
Hydrochloric Acid SCHEMBL31278432 0.84 TSHR (0.52) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL5934747 0.83 TRPV1 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL12136827 0.80 MAPT (0.47) TRPV1MAPTMEN1TSHRKMT2A
SCHEMBL9347717 0.79 RAB9A (0.66) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL12136749 0.78 RAB9A (0.63) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9347912 0.78 RAB9A (0.68) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL14082698 0.77 TRPV1 (0.55) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23447716 0.76 NR1H4 (0.69) SMN1; SMN2RAB9AMAPTSTAT3MEN1
SCHEMBL10613234 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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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