SCHEMBL162992

SCHEMBL162992

O=C(c1c[c]ccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
TSHR P16473 2/20 0.58
PHGDH O43175 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.49
LMNA P02545 1/20 0.49
MLYCD O95822 1/20 0.49
POLB P06746 1/20 0.49
DNMT1 P26358 1/20 0.49
PTPN7 P35236 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.49
AKR1C3 P42330 1/20 0.48

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
SCHEMBL1920680 0.88 ALDH1A1 (0.49) HPGDTSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL1921183 0.85 HPGD (0.55) HPGDSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL1298628 0.85 HPGD (0.59) HPGDL3MBTL1SMN1; SMN2GAALMNA
SCHEMBL1298971 0.83 HPGD (0.62) HPGDTSHRL3MBTL1LMNAMLYCD
SCHEMBL17766536 0.81 SIGMAR1 (0.65) HPGD
SCHEMBL1298702 0.81 POLB (0.54) HPGDTSHRL3MBTL1GAALMNA
SCHEMBL7002476 0.81 HSP90AA1 (0.44) HPGDKDM4EKMT2A
SCHEMBL28044673 0.80 TSHR (0.66) TSHRLMNAPOLBKMT2A
SCHEMBL21000 0.80 PHGDH (0.64) HPGDTSHRPHGDHL3MBTL1SMN1; SMN2
SCHEMBL946143 0.79 HPGD (0.86) HPGDTSHRPHGDHL3MBTL1SMN1; SMN2

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 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2021-12-30 US claimed
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
CN-111377923-A Pyrido [3',2':6, 7] azepino [4,3,2-cd ] isoindolone derivatives and application thereof 中国药科大学 2020-07-07 CN claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US claimed
WO-2006086634-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO claimed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP claimed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP claimed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO claimed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO claimed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 US claimed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO claimed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 HPGD 2117/4885TSHR 361/4885PHGDH 1606/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HPGD 321/4885TSHR 2455/4885PHGDH 1840/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HPGD 321/4885TSHR 2455/4885PHGDH 1840/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HPGD 173/4885TSHR 2846/4885PHGDH 1377/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK HPGD 2081/4885TSHR 4620/4885PHGDH 2760/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HPGD 173/4885TSHR 2846/4885PHGDH 1377/4885

“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.