SCHEMBL5908296

SCHEMBL5908296

O=C(O)c1n[nH]c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.56
FLT3 P36888 2/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
YTHDC1 Q96MU7 1/20 0.54
STAT3 P40763 1/20 0.54
HIF1A Q16665 1/20 0.54
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
MAP2K4 P45985 2/20 0.53
IDO1 P14902 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49

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
SCHEMBL42245 0.87 FLT3 (0.65) KDM4ENPC1RAB9AALDH1A1FLT3
SCHEMBL29444537 0.87 FLT3 (0.65) KDM4ENPC1RAB9AALDH1A1FLT3
Hydrochloric Acid SCHEMBL4258298 0.85 FLT3 (0.63) KDM4ENPC1RAB9AALDH1A1FLT3
SCHEMBL27541852 0.85 FLT3 (0.63) KDM4ENPC1RAB9AALDH1A1FLT3
SCHEMBL1962245 0.84 CYP1A2 (0.54) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL8067938 0.84 CYP1A2 (0.54) KDM4ENPC1RAB9AALDH1A1TP53
Hydrazine SCHEMBL27690059 0.84 FLT3 (0.61) KDM4ENPC1RAB9AALDH1A1FLT3
Hydrazine SCHEMBL27956766 0.82 FLT3 (0.59) KDM4ENPC1RAB9AALDH1A1FLT3
Methylene Chloride SCHEMBL28057236 0.81 CTNNB1 (0.60) KDM4ENPC1RAB9AALDH1A1FLT3
SCHEMBL31148407 0.77 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 EP claimed
US-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 US disclosed
CN-1398258-A 4-Hydroxycinnoline-3-carboxamide compounds as antiviral agents UPJOHN CO (US) 2003-02-19 CN disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
EP-0519140-B1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acids, esters and salts thereof, and intermediates used in this method HYBRINOVA (FR) 1998-07-29 EP disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed
EP-0363236-A1 Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline HYBRINOVA (FR) 1990-04-11 EP disclosed
US-4495351-A FOR UROGENVITAL DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1985-01-22 US disclosed
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 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 (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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 KDM4E 714/4885NPC1 498/4885RAB9A 3147/4885
US-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 KDM4E 2648/4885NPC1 36/4885RAB9A 496/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 KDM4E 2673/4885NPC1 70/4885RAB9A 186/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 KDM4E 1928/4885NPC1 1128/4885RAB9A 625/4885

“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.