SCHEMBL171027

SCHEMBL171027

Cc1cc(C(N)=O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
PARP1 P09874 3/20 0.50
PDE10A Q9Y233 1/20 0.50
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRPF1 P55201 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL31323218 1.00 LCK (0.53) LCKPARP1PDE10ATP53TDP1
SCHEMBL1805871 0.83 LCK (0.53) LCKPARP1TDP1DYRK1ADYRK1B
SCHEMBL31621156 0.82 HTT (0.61) PDE10ATP53TDP1DYRK1ADYRK1B
SCHEMBL1002832 0.82 PRSS1 (0.61) LCKPARP1TDP1SMN1; SMN2ALDH1A1
SCHEMBL1758239 0.82 HTT (0.61) PDE10ATP53TDP1DYRK1ADYRK1B
SCHEMBL29503140 0.82 PRSS1 (0.61) LCKPARP1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9541786 0.80 PARP1 (0.52) LCKPARP1HSD17B1SMN1; SMN2KDM4E
SCHEMBL172420 0.80 CA12 (0.64) PDE10ATP53TDP1ESR1SMN1; SMN2
SCHEMBL11053174 0.80 HTT (0.64) PDE10ATP53TDP1DYRK1ADYRK1B
SCHEMBL172723 0.80 PKM (0.57) PDE10ATP53TDP1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-0930307-B1 PROCESS FOR THE PREPARATION OF GLYCIDYL ETHERS DAISO CO LTD (JP) 2002-12-04 EP claimed
EP-0930291-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXY-1-PROPYL ETHERS DAISO CO LTD (JP) 2002-08-14 EP claimed
US-6087512-A Process for preparation of glycidyl ether DAISO CO., LTD. (JP) 2000-07-11 US claimed
US-6057476-A Process for the preparation of 3-amino-2-hydroxy-1-propyl ethers DAISO CO., LTD. (JP) 2000-05-02 US claimed
EP-0930291-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXY-1-PROPYL ETHERS DAISO CO., LTD. (JP) 1999-07-21 EP claimed
EP-0930307-A1 PROCESS FOR THE PREPARATION OF GLYCIDYL ETHERS DAISO CO., LTD. (JP) 1999-07-21 EP claimed
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 WO disclosed
US-10983434-B2 Photoresist composition for deep ultraviolet light patterning method and method of manufacturing semiconductor device SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-04-20 US disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-20190101826-A1 PHOTORESIST COMPOSITION FOR DEEP ULTRAVIOLET LIGHT PATTERNING METHOD AND METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-04-04 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 WO disclosed
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4182911-A BETA-ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-08 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 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-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 LCK 4689/4885PARP1 665/4885PDE10A 1610/4885

“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.