SCHEMBL14703147

SCHEMBL14703147

N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38

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
SCHEMBL14703141 0.99 EPHX2 (0.48) EPHX2HRH3SMN1; SMN2POLBTSHR
SCHEMBL14703674 0.87 PHGDH (0.40) EPHX2HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL14703252 0.86 SMN1; SMN2 (0.46) EPHX2SMN1; SMN2ALDH1A1
SCHEMBL28487664 0.85 HRH3 (0.45) EPHX2HRH3SMN1; SMN2POLBTSHR
SCHEMBL14703673 0.85 ALDH1A1 (0.47) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14703140 0.85 ALDH1A1 (0.47) HRH3SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL18191032 0.84 HRH3 (0.44) EPHX2HRH3SMN1; SMN2POLBTSHR
SCHEMBL14703437 0.83 ALDH1A1 (0.45) HRH3SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14703368 0.83 SCN3A (0.39) EPHX2SMN1; SMN2TSHRRAB9AALDH1A1
SCHEMBL14703370 0.82 ALDH1A1 (0.46) MEN1KMT2ARAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742020-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2017-10-25 — — EP disclosed
US-9321742-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2016-04-26 — — US disclosed
US-9321742-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2016-04-26 — — US disclosed
US-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
US-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
WO-2013022279-A2 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KR) 2013-02-14 — — WO 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-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKAG1, GCKR, GPR119 EPHX2 4387/4885HRH3 3910/4885SMN1; SMN2 3229/4885

“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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