SCHEMBL14703240

SCHEMBL14703240

Cc1ccc(CNC(=N)NC(=N)N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 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
SCHEMBL19393793 0.87 KMT2A (0.62) MEN1KMT2ARAB9AEPHX2ALDH1A1
SCHEMBL19393790 0.86 NPC1 (0.45) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703351 0.86 SMN1; SMN2 (0.47) KMT2ARAB9AALDH1A1NPC1HPGD
SCHEMBL14703673 0.86 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703344 0.86 ALDH1A1 (0.45) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703140 0.86 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703671 0.85 KMT2A (0.48) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703468 0.85 ALDH1A1 (0.47) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL14703437 0.84 ALDH1A1 (0.45) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14703246 0.84 SMN1; SMN2 (0.44) KMT2ARAB9AALDH1A1NPC1HPGD

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 MEN1 76/4885KMT2A 1377/4885RAB9A 1508/4885

“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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