SCHEMBL3916337

SCHEMBL3916337

c1ccc(N[C]2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.55
▸ ALDH1A1 P00352 9/20 0.52
▸ TDP1 Q9NUW8 6/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ AR P10275 1/20 0.46
▸ CYP3A4 P08684 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ ATM Q13315 2/20 0.43

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
SCHEMBL1828311 0.97 HSD17B10 (0.52) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
SCHEMBL1828521 0.95 HSD17B10 (0.55) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL8135380 0.77 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL27851138 0.77 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL8119680 0.77 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL27671770 0.77 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL1691353 0.77 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL29151847 0.75 HSD17B10 (0.75) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL229 0.73 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL1619083 0.73 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 — — EP disclosed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — US disclosed
US-20150038574-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2015-02-05 — — US disclosed
CN-103420988-A Pyridinone and pyridazinone derivatives as inhibitors of poly(adp-ribose)polymerase (parp) ANGELETTI P IST RICHERCHE BIO 2013-12-04 — — CN disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 — — US disclosed
CN-101501006-A Pyridone and pyridazinone derivatives as poly (ADP-ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-08-05 — — CN disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 — — US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 — — EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 — — WO 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 (3 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-20150038574-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C HSD17B10 2983/4885ALDH1A1 2346/4885TDP1 2588/4885
US-10040749-B2 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, PDE6C HSD17B10 2983/4885ALDH1A1 2346/4885TDP1 2588/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 HSD17B10 2665/4885ALDH1A1 278/4885TDP1 102/4885

“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