SCHEMBL3049736

SCHEMBL3049736

Cc1cc(S(=O)(=O)Nc2ccc3ccn(CCC(=O)NCCN4CCC(c5cccs5)(N(C)C)CC4)c3c2)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.41
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL3057672 0.87 MAPK1 (0.33) HSD17B1HSD17B2S1PR1LMNA
SCHEMBL3050887 0.86 MTNR1A (0.40) HTR6MEN1KMT2A
SCHEMBL13139532 0.74 MEN1 (0.47) HTR6HSD17B1HSD17B2S1PR1MEN1
SCHEMBL3047557 0.74 KMO (0.52) HTR6HSD17B1HSD17B2S1PR1MEN1
SCHEMBL3055485 0.73 BDKRB1 (0.38) HTR6MEN1KMT2ALMNA
SCHEMBL3049716 0.73 PTGER3 (0.34) MEN1KMT2A
SCHEMBL3058830 0.69 HSD17B1 (0.50) HTR6HSD17B1HSD17B2S1PR1MEN1
SCHEMBL2866271 0.69 OPRM1 (0.50) MEN1KMT2ALMNA
SCHEMBL3406256 0.69 CD274 (0.45) —
SCHEMBL3061861 0.67 MEN1 (0.48) HTR6HSD17B1HSD17B2S1PR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR6 103/4885HSD17B1 2880/4885HSD17B2 3507/4885

“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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