SCHEMBL18714849

SCHEMBL18714849

CNCCCN(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.58
▸ TMEM97 Q5BJF2 8/20 0.58
▸ ACKR3 P25106 2/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HIF1A Q16665 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
SCHEMBL18714779 0.90 SIGMAR1 (0.50) SIGMAR1TMEM97ACKR3KCNH2HDAC1
SCHEMBL10223590 0.81 KCNH2 (0.64) SIGMAR1TMEM97ACKR3KCNH2LMNA
SCHEMBL18714772 0.80 SIGMAR1 (0.50) SIGMAR1TMEM97ACKR3KCNH2LMNA
SCHEMBL1268694 0.80 SIGMAR1 (0.61) SIGMAR1TMEM97ACKR3ACHE
SCHEMBL18197676 0.77 KDM4E (0.46) SIGMAR1TMEM97ACKR3HDAC1ACHE
SCHEMBL28049309 0.76 LMNA (0.49) SIGMAR1TMEM97ACKR3KCNH2LMNA
SCHEMBL25962676 0.75 MEN1 (0.57) SIGMAR1KCNH2LMNA
SCHEMBL15942946 0.74 SIGMAR1 (0.58) SIGMAR1TMEM97ACKR3KCNH2LMNA
SCHEMBL11317777 0.74 SIGMAR1 (0.54) SIGMAR1TMEM97ACKR3KCNH2LMNA
SCHEMBL17372598 0.74 SIGMAR1 (1.00) SIGMAR1TMEM97ACKR3

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 SIGMAR1 1828/4885TMEM97 2123/4885ACKR3 997/4885
US-20180134653-A1 SUBSTITUTED ACETHYDRAZIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF HIF1AN, HIF1A, EGLN3 SIGMAR1 1851/4885TMEM97 1979/4885ACKR3 929/4885
US-10196346-B2 Substituted acethydrazide derivative, preparation method and use thereof HIF1AN, HIF1A, EGLN3 SIGMAR1 1851/4885TMEM97 1979/4885ACKR3 929/4885

“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