SCHEMBL8266547

SCHEMBL8266547

CCc1nn(Cc2ccc(SC)cc2)cc1I

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ ATM Q13315 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ SLC6A4 P31645 7/20 0.36
▸ DUSP3 P51452 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL7609074 0.83 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EKMT2ALMNARAB9A
SCHEMBL7609071 0.81 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ALMNARAB9ANPC1
SCHEMBL29339707 0.81 MEN1 (0.44) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL18390051 0.73 HTT (0.38) SMN1; SMN2KDM4ELMNANPC1L3MBTL1
Ammonia Solution, Strong SCHEMBL28919773 0.71 HTT (0.37) SMN1; SMN2KDM4ELMNANPC1L3MBTL1
SCHEMBL370625 0.69 MEN1 (0.44) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL17247573 0.67 KDR (0.36) KMT2A
SCHEMBL26388323 0.67 — —
SCHEMBL29276697 0.66 LMNA (0.62) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL257109 0.66 MEN1 (0.55) SMN1; SMN2ATMKDM4EMEN1KMT2A

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-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 — — US disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 — — US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 — — US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 — — 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 (2 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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 SMN1; SMN2 2687/4885ATM 4028/4885KDM4E 1083/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 SMN1; SMN2 2466/4885ATM 3134/4885KDM4E 992/4885

“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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