SCHEMBL12136829

SCHEMBL12136829

CCCC(C)c1ccc(-c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TYK2 P29597 1/20 0.43
▸ GCG P01275 1/20 0.43
▸ P2RX7 Q99572 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ S1PR3 Q99500 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ LCK P06239 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12136826 0.83 RXFP1 (0.50) MEN1KMT2AGCGNPC1RAB9A
SCHEMBL14372263 0.82 MEN1 (0.50) MEN1LMNAKMT2APTPN1PTPN2
SCHEMBL12136827 0.79 MAPT (0.47) MEN1KMT2ALCK
SCHEMBL12136749 0.78 RAB9A (0.63) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL12136828 0.78 RAB9A (0.46) MEN1LMNAKMT2AGCGNPC1
SCHEMBL25790388 0.67 PARP1 (0.40) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12376611 0.67 BAZ2B (0.60) PTPN1PTPN2PTPN6PTPN11NPC1
SCHEMBL14083014 0.67 RAB9A (0.55) MEN1KMT2APTPN1PTPN2PTPN6
SCHEMBL5934676 0.65 PTPN1 (0.61) LMNAPTPN1PTPN2PTPN6PTPN11
SCHEMBL30962898 0.64 TYK2 (0.63) MEN1LMNAKMT2ATYK2

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 3 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-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 MEN1 2398/4885LMNA 4471/4885KMT2A 944/4885

“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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