SCHEMBL14703436

SCHEMBL14703436

N=C(NCc1cccc(F)c1)NC(=N)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SLC6A3 Q01959 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD2 P14416 1/20 0.41

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
SCHEMBL14703426 0.84 MEN1 (0.52) ALDH1A1LMNATDP1NPC1RAB9A
SCHEMBL14703344 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NAMPTTDP1NPC1
SCHEMBL14703671 0.84 KMT2A (0.48) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL14703370 0.83 ALDH1A1 (0.46) ALDH1A1NAMPTLMNAHTTRAB9A
SCHEMBL14703142 0.80 KMT2A (0.41) SMN1; SMN2ALDH1A1LMNANPSR1NPC1
SCHEMBL14703476 0.79 KIF11 (0.40) NAMPT
SCHEMBL14703474 0.78 PTPN7 (0.46) —
SCHEMBL14703147 0.78 EPHX2 (0.47) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL14705744 0.77 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1NPC1NFKB1MAPK1
SCHEMBL14703432 0.77 NAMPT (0.53) ALDH1A1NAMPTLMNAMAPT

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 SMN1; SMN2 3229/4885ALDH1A1 2414/4885NAMPT 325/4885

“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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