SCHEMBL12136754

SCHEMBL12136754

CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ PLK1 P53350 7/20 0.57
▸ PLK3 Q9H4B4 2/20 0.57
▸ MAPT P10636 5/20 0.54
▸ STAT3 P40763 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ TP53 P04637 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12136828 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14075262 0.79 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12136749 0.77 RAB9A (0.63) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27432908 0.77 RAB9A (0.73) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9805357 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27432909 0.76 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27432913 0.76 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27432926 0.76 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9723816 0.75 RAB9A (0.97) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

“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.

Send feedback