SCHEMBL6371929

SCHEMBL6371929

CCc1cc(-c2ccc(CN3CCCC(CO)C3)s2)c(C)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ PNP P00491 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ CD274 Q9NZQ7 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL2674157 0.99 MAPT (0.40) MAPTPNPLMNATDP1MAPK1
SCHEMBL6371112 0.89 PIM1 (0.40) MAPTLMNATDP1MAPK1HTT
Hydrochloric Acid SCHEMBL2674369 0.88 PIM1 (0.40) MAPTLMNATDP1MAPK1HTT
SCHEMBL6371390 0.87 CDC7 (0.41) MAPTLMNATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2673404 0.87 CDC7 (0.40) MAPTLMNATDP1ALDH1A1KDM4E
SCHEMBL6371394 0.85 HSD17B10 (0.38) MAPTLMNATDP1LTA4HALDH1A1
SCHEMBL6372062 0.85 CCNC (0.39) MAPTTDP1HTTALDH1A1KDM4E
SCHEMBL6372810 0.84 CDC7 (0.44) LTA4HOPRK1
Hydrochloric Acid SCHEMBL2673842 0.84 HSD17B10 (0.37) LMNALTA4HALDH1A1KDM4EOPRK1
Hydrochloric Acid SCHEMBL2674323 0.84 CDC7 (0.38) MAPTTDP1HTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 MAPT 2438/4885PNP 100/4885LMNA 193/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 MAPT 2438/4885PNP 100/4885LMNA 193/4885

“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.

Send feedback