SCHEMBL12136749

SCHEMBL12136749

CCCCCc1ccc(-c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.63
▸ NPC1 O15118 6/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ NFKB2 Q00653 2/20 0.63
▸ RELA Q04206 2/20 0.63
▸ MAPT P10636 3/20 0.56
▸ STAT3 P40763 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ PLK1 P53350 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ SENP8 Q96LD8 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ SENP6 Q9GZR1 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL12136748 0.82 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12136750 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL14075262 0.78 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12136829 0.78 MEN1 (0.48) RAB9ASMN1; SMN2NPC1TP53MEN1
SCHEMBL9805357 0.78 RAB9A (1.00) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL4916806 0.78 SCD (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12136754 0.77 RAB9A (0.60) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL10661558 0.77 RAB9A (0.74) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9723816 0.77 RAB9A (0.97) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10348208 0.77 RAB9A (0.78) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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 RAB9A 990/4885SMN1; SMN2 2484/4885NPC1 1048/4885

“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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