Sugi Predict

Sugi Predict / Compounds / SCHEMBL451742

SCHEMBL451742

SCHEMBL451742

O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CFD P00746 1/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ RCOR1 Q9UKL0 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ NPBWR1 P48145 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50

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
SCHEMBL1484111 0.88 KDM4E (0.63) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL7613630 0.88 NPSR1 (0.75) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL10542309 0.87 KMT2A (0.61) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL5191097 0.86 KMT2A (0.60) LMNANPSR1HTTALDH1A1L3MBTL1
SCHEMBL25248863 0.86 HTT (0.59) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL2233522 0.85 NPC1 (0.69) LMNAALDH1A1L3MBTL1CFDNPC1
SCHEMBL7609440 0.85 HTT (0.58) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL7611175 0.85 NPSR1 (0.58) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL7420731 0.83 KMT2A (0.59) LMNANPSR1HTTMAPK1ALDH1A1
SCHEMBL7315510 0.82 KDM1A (0.67) LMNANPSR1HTTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 — — US disclosed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 — — US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 — — US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 — — EP disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 — — US disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 — — US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 — — US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 — — US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 — — US disclosed
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2005-04-14 — — US disclosed
EP-1516876-A1 Mediators of hedgehog signalling pathways, compositions and uses related thereto Curis, Inc. (US) 2005-03-23 — — EP disclosed
EP-1216234-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2004-12-29 — — EP disclosed
US-6545005-B1 Quinazolone derivatives CURTIS, INC. 2003-04-08 — — US disclosed
WO-2001019800-A9 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2002-10-03 — — WO disclosed
EP-1216234-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-06-26 — — EP disclosed
WO-2001019800-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-03-22 — — WO disclosed
US-5874061-A PARAMAGNETIC CONTRAST AGENTS FOR BOTH NUCLEAR SPIN AND COMPUTOR TOMOGRAPHY AND MAGNETIC RESONANCE IMAGING; MARKING VASCULAR SPACE (BLOOD-POOL AGENTS); BIOCOMPATIBILITY; HIGH SIGNAL INTENSITY, THEREFORE A LOWER DOSAGE USED SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-23 — — 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 (5 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 LMNA 4569/4885NPSR1 3003/4885HTT 2368/4885
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 LMNA 3754/4885NPSR1 388/4885HTT 4552/4885
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 LMNA 4569/4885NPSR1 3003/4885HTT 2368/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 LMNA 4569/4885NPSR1 3003/4885HTT 2368/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 LMNA 3754/4885NPSR1 388/4885HTT 4552/4885

“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.