SCHEMBL4768998

SCHEMBL4768998

O=C(O)c1cc2ccccc2c(O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2C19 P33261 1/20 0.52
IGFBP3 P17936 4/20 0.49
ALOX15 P16050 3/20 0.47
POLB P06746 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MGAM O43451 1/20 0.44
CDC25B P30305 1/20 0.44
TSHR P16473 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LDHA P00338 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL29754771 0.83 LCK (0.46) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL18585387 0.83 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL9327979 0.81 IGFBP3 (0.52) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6981683 0.79 KDM4E (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL31165745 0.79 MEN1 (0.55) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL30420994 0.79 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL1202533 0.79 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL1990776 0.79 KDM4E (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL29883306 0.79 KDM4E (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL30023908 0.79 KDM4E (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470899-B The 4 isoquinolinol compounds as HIF hydroxylase inhibitors 菲布罗根有限公司 2017-12-26 CN disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4036964-A Isocarbostyril-3-carboxylic acid derivatives for the prophylaxis of asthma, hayfever and rhinitis BEECHAM GROUP LIMITED (EN) 1977-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM4E 1050/4885MEN1 786/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885MEN1 1171/4885ALDH1A1 1071/4885

“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.