SCHEMBL535543

SCHEMBL535543

Nc1c(Cl)cncc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.47
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
THRB P10828 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR2 Q8TDS4 2/20 0.39
LMNA P02545 1/20 0.39
DDO Q99489 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL9803915 0.84 KDM4E (0.50) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL28440693 0.78 AKR1C2 (0.52) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL392397 0.78 TSHR (0.48) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL30573034 0.75 KDM4E (0.52) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL2003114 0.75 KDM4E (0.52) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL465860 0.75 KDM4E (0.42) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL14044284 0.75 KDM4E (0.42) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL2324842 0.75 KDM4E (0.52) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL29157397 0.75 HCAR2 (0.39) HAVCR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL15758062 0.75 HCAR2 (0.46) KDM4EKMT2AALDH1A1MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483388-B Preparation method of nicotinic acid derivative 新发药业有限公司 2020-08-04 CN disclosed
CN-110483388-B Preparation method of nicotinic acid derivative 新发药业有限公司 2020-08-04 CN disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
CN-101679377-A Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2144898-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
US-3962264-A AMMONIA, TETRA-ALKOXY-PROPANE, MALONONITRILE PFIZER INC. (US) 1976-06-08 US disclosed
US-3950160-A INHIBITING THE GROWTH OF WEEDS WITH 2-SUBSTITUTED PYRDIDOPYIMIDINES AND SALTS THEREOF PFIZER INC. (US) 1976-04-13 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-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 HAVCR2 4750/4885KDM4E 2297/4885KMT2A 1431/4885

“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.