SCHEMBL18714847

SCHEMBL18714847

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.52
▸ SIGMAR1 Q99720 2/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ LTA4H P09960 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL18714781 0.95 TMEM97 (0.53) HIF1ASIGMAR1TMEM97LTA4HTSHR
SCHEMBL18714783 0.82 HIF1A (0.53) HIF1ASIGMAR1TMEM97LTA4HACKR3
SCHEMBL18714870 0.81 HIF1A (0.55) HIF1ALTA4HHDAC6ALDH1A1LMNA
SCHEMBL18714786 0.80 POLB (0.57) HIF1ASIGMAR1TMEM97LTA4HALDH1A1
SCHEMBL15942946 0.78 SIGMAR1 (0.58) SIGMAR1TMEM97ACKR3LMNAEPHX2
SCHEMBL18714851 0.77 SIGMAR1 (0.54) HIF1ASIGMAR1TMEM97LTA4HACKR3
SCHEMBL18714777 0.76 HIF1A (0.61) HIF1ASIGMAR1TMEM97HDAC6ALDH1A1
SCHEMBL30545010 0.75 ESRRB (0.58) ALDH1A1LMNAEPHX2NR1H4KCNH2
SCHEMBL797362 0.75 SIGMAR1 (0.51) HIF1ASIGMAR1TMEM97ACKR3LMNA
SCHEMBL15942948 0.74 SIGMAR1 (0.50) SIGMAR1TMEM97LTA4HALDH1A1LMNA

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 HIF1A 2/4885SIGMAR1 1828/4885TMEM97 2123/4885
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF HIF1AN, HIF1A, EGLN3 HIF1A 2/4885SIGMAR1 1851/4885TMEM97 1979/4885
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof HIF1AN, HIF1A, EGLN3 HIF1A 2/4885SIGMAR1 1851/4885TMEM97 1979/4885

“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.

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