SCHEMBL5537402

SCHEMBL5537402

CN(C=O)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.47
TAAR1 Q96RJ0 1/20 0.45
RIPK1 Q13546 2/20 0.45
DAO P14920 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AOC3 Q16853 1/20 0.42
NSD2 O96028 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL24723657 0.79 MTOR (0.44) ESR1ESR2ALDH1A1
SCHEMBL5548152 0.79 PYCR1 (0.52) PYCR1TAAR1ALDH1A1LMNA
SCHEMBL5534484 0.79 ALDH1A1 (0.50) PYCR1AOC3ALDH1A1IDO1
SCHEMBL28342000 0.79 PYCR1 (0.51) PYCR1TAAR1ALDH1A1LMNAMEN1
SCHEMBL967209 0.78 TSHR (0.56) PYCR1TAAR1AOC3ALDH1A1LMNA
SCHEMBL28861696 0.78 ALDH1A1 (0.35) PYCR1TAAR1TDP1ALDH1A1MEN1
SCHEMBL5544255 0.77 TAAR1 (0.51) TAAR1RIPK1ALDH1A1MEN1KMT2A
SCHEMBL2906670 0.76 ALDH1A1 (0.42) PYCR1TDP1ALDH1A1LMNAMEN1
SCHEMBL14306693 0.76 CYP2C19 (0.35) PYCR1TAAR1ALDH1A1
SCHEMBL13062564 0.76 APLNR (0.53) PYCR1TDP1AOC3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 1999-08-05 WO claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 US disclosed
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-07-02 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP disclosed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 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 (4 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG PYCR1 4490/4885TAAR1 4768/4885RIPK1 2076/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PYCR1 783/4885TAAR1 364/4885RIPK1 1770/4885
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 PYCR1 3649/4885TAAR1 2554/4885RIPK1 1684/4885
US-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 PYCR1 479/4885TAAR1 3229/4885RIPK1 3492/4885

“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.