SCHEMBL11917233

SCHEMBL11917233

CCc1cc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)s2)c(C)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL6372017 0.91 MAPT (0.43) KMT2ATSHRMAPTMAPK1KDM4E
SCHEMBL2673669 0.90 KMT2A (0.51) KMT2AMAPTKDM4EPOLBHTT
SCHEMBL6372581 0.90 ALDH1A1 (0.42) KMT2ATSHRMAPTMAPK1HSD17B10
Hydrochloric Acid SCHEMBL2673197 0.90 KDM4E (0.42) KMT2ATSHRMAPTMAPK1KDM4E
SCHEMBL6371055 0.90 KDM4E (0.42) KMT2ATSHRMAPTMAPK1KDM4E
Hydrochloric Acid SCHEMBL2674685 0.89 ALDH1A1 (0.42) KMT2ATSHRMAPTMAPK1HSD17B10
SCHEMBL6371076 0.89 KDM4E (0.42) KMT2ATSHRMAPTMAPK1KDM4E
SCHEMBL6371794 0.88 ALDH1A1 (0.40) KMT2AMAPTKDM4EPOLB
SCHEMBL6371080 0.88 MAPT (0.39) KMT2AMAPTMAPK1KDM4EPOLB
SCHEMBL6371039 0.88 MAPK1 (0.53) KMT2ATSHRMAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 KMT2A 1291/4885TSHR 2825/4885MAPT 2438/4885

“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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