SCHEMBL18714786

SCHEMBL18714786

CN(CCN(C)Cc1ccc(C#N)cc1)CC(=O)NN

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ HIF1A Q16665 5/20 0.53
▸ SIGMAR1 Q99720 2/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ NSD2 O96028 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RORC P51449 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ MEP1B Q16820 1/20 0.40
▸ MAPK8 P45983 1/20 0.39

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
SCHEMBL18714754 0.82 HIF1A (0.53) POLBHIF1ASIGMAR1TMEM97NSD2
SCHEMBL18714870 0.80 HIF1A (0.55) HIF1ALMNAMEN1KMT2AALDH1A1
SCHEMBL18714847 0.80 HIF1A (0.52) HIF1ASIGMAR1TMEM97LMNAALDH1A1
SCHEMBL14183081 0.75 POLB (0.59) POLBSIGMAR1TMEM97NSD2LMNA
SCHEMBL18714781 0.75 TMEM97 (0.53) HIF1ASIGMAR1TMEM97LMNALTA4H
SCHEMBL6125252 0.75 SIGMAR1 (0.52) POLBHIF1ASIGMAR1TMEM97NSD2
SCHEMBL4664138 0.73 HRH3 (0.55) POLBHIF1ASIGMAR1TMEM97NSD2
SCHEMBL18295341 0.73 MAPK8 (0.55) LMNARORCHTTMAPK8
SCHEMBL18714871 0.72 SIGMAR1 (0.56) POLBSIGMAR1TMEM97NSD2
SCHEMBL17372411 0.72 SIGMAR1 (0.62) POLBHIF1ASIGMAR1TMEM97RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150576-B1 SUBSTITUTED ACETOHYDRAZIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-07-10 — — EP disclosed
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-02-05 — — US disclosed
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-05-17 — — US disclosed
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-05-17 — — US disclosed
US-20170190656-A1 A Substituted Acethydrazide Derivative, Preparation Method and Use Thereof Institute of Pharmacology and Toxicology Academy of Millitary Medical Sciences P.L.A. China (CN) 2017-07-06 — — US disclosed
US-20170190656-A1 A Substituted Acethydrazide Derivative, Preparation Method and Use Thereof Institute of Pharmacology and Toxicology Academy of Millitary Medical Sciences P.L.A. China (CN) 2017-07-06 — — US disclosed
EP-3150576-A1 SUBSTITUTED ACETOHYDRAZIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2017-04-05 — — 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 (3 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-20170190656-A1 A Substituted Acethydrazide Derivative, Preparation Method and Use Thereof HIF1AN, HIF1A, EGLN3 POLB 2841/4885HIF1A 2/4885SIGMAR1 1828/4885
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF HIF1AN, HIF1A, EGLN3 POLB 2896/4885HIF1A 2/4885SIGMAR1 1851/4885
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof HIF1AN, HIF1A, EGLN3 POLB 2896/4885HIF1A 2/4885SIGMAR1 1851/4885

“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.

Send feedback