SCHEMBL1680433

SCHEMBL1680433

CCOC(=O)/C(C#N)=C\O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 7/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 5/20 0.51
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTP4A1 Q93096 1/20 0.50
MIF P14174 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
USP2 O75604 2/20 0.49
GAA P10253 2/20 0.49
DHODH Q02127 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
SCHEMBL8025998 1.00 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL1680434 1.00 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL9544480 0.98 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL8027195 0.98 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL8027197 0.98 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL9544475 0.98 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL4906704 0.87 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL4961560 0.87 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL2755215 0.87 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTPDCD1
SCHEMBL19355063 0.83 CYP2C9 (0.65) CYP2C9ALDH1A1TSHRMAPTPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
EP-2163543-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2010-03-17 EP disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-7504200-B2 Combined use of a lubricating silicon-containing acrylic polymer and a fluorosurfactant, such as diperfluorononyl polyethylene glycol, greatly improves wear and stain resistances KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-03-17 US disclosed
US-20090042125-A1 PHOTOTHERMOGRAPHIC MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-02-12 US disclosed
US-7462445-B2 Image forming method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-12-09 US disclosed
US-20080187875-A1 PHOTOTHERMOGRAPHIC MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-08-07 US disclosed
US-20080057447-A1 rapid thermal processing of a photothermographic materials; involving a transport feed roller, light-insensitive layer or back coating layer contains a lubricant fatty ester, a biphenol derivatives reducing agent for silver KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-03-06 US disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-20070105059-A1 IMAGE FORMING METHOD USING PHOTOTHERMOGRAPHIC MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 US disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 US disclosed
US-7192696-B2 Image forming method using photothermographic material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-20 US disclosed
US-7192696-B2 Image forming method using photothermographic material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-20 US disclosed
US-7163782-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-01-16 US disclosed
US-7157219-B2 Photothermographic materials containing silver halide sensitized with combination of compounds EASTMAN KODAK COMPANY (US) 2007-01-02 US disclosed
US-7157219-B2 Photothermographic materials containing silver halide sensitized with combination of compounds EASTMAN KODAK COMPANY (US) 2007-01-02 US disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (2 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 CYP2C9 1072/4885ALDH1A1 1677/4885TSHR 3875/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD CYP2C9 3419/4885ALDH1A1 1926/4885TSHR 3836/4885

“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.