SCHEMBL14703370

SCHEMBL14703370

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.46
▸ HTT P42858 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PREP P48147 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL14703476 0.88 KIF11 (0.40) NAMPTKMT2AMEN1
SCHEMBL14703474 0.87 PTPN7 (0.46) —
SCHEMBL14703344 0.85 ALDH1A1 (0.45) ALDH1A1NAMPTKMT2AMEN1RAB9A
SCHEMBL14703675 0.84 P2RX7 (0.43) —
SCHEMBL14703440 0.84 CTSD (0.42) KMT2AMEN1
SCHEMBL14703436 0.83 SMN1; SMN2 (0.47) ALDH1A1HTTNAMPTRAB9AMAPT
SCHEMBL14703140 0.82 ALDH1A1 (0.47) ALDH1A1HTTGAAKMT2AMEN1
SCHEMBL14703673 0.82 ALDH1A1 (0.47) ALDH1A1HTTGAAKMT2AMEN1
SCHEMBL14703147 0.82 EPHX2 (0.47) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL14703437 0.81 ALDH1A1 (0.45) ALDH1A1HTTGAAKMT2AMEN1

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 ALDH1A1 2414/4885HTT 3523/4885NAMPT 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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