SCHEMBL3057672

SCHEMBL3057672

Cc1cc(S(=O)(=O)Nc2cccc3ccn(CCC(=O)NCCN4CCC(c5cccs5)(N(C)C)CC4)c23)c(C)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B1 P14061 2/20 0.31
▸ HSD17B2 P37059 2/20 0.31
▸ S1PR1 P21453 5/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ S1PR4 O95977 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL3049736 0.87 HTR6 (0.41) LMNAHSD17B1HSD17B2S1PR1
SCHEMBL3049716 0.86 PTGER3 (0.34) ALDH1A1MAPTOPRM1OPRL1
SCHEMBL13139531 0.75 HSD17B1 (0.43) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL3053031 0.75 HSD17B1 (0.45) LMNAALDH1A1MAPTTP53HSD17B1
SCHEMBL3057242 0.74 BDKRB1 (0.34) OPRM1OPRL1
SCHEMBL3055517 0.74 BDKRB1 (0.39) —
SCHEMBL3050887 0.73 MTNR1A (0.40) ALDH1A1MAPT
SCHEMBL3052400 0.71 BDKRB1 (0.35) OPRM1OPRL1
SCHEMBL3053503 0.70 DRD2 (0.38) LMNAMAPTHSD17B1HSD17B2HSD11B1
SCHEMBL3061724 0.70 CACNA2D1 (0.39) GAAMAPTTP53HSD17B1HSD17B2

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 MAPK1 928/4885SMN1; SMN2 3917/4885UBE2N 2219/4885

“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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