SCHEMBL14703246

SCHEMBL14703246

N=C(NCc1ccc(Br)cc1)NC(=N)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ FPR3 P25089 2/20 0.38
▸ FPR2 P25090 2/20 0.38
▸ PPID Q08752 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TNIK Q9UKE5 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
SCHEMBL14703351 0.99 SMN1; SMN2 (0.47) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL14703437 0.85 ALDH1A1 (0.45) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL18191042 0.85 TGM2 (0.38) SMN1; SMN2TGM2FPR3FPR2L3MBTL1
SCHEMBL14703240 0.84 MEN1 (0.46) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL14703673 0.84 ALDH1A1 (0.47) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL14703344 0.84 ALDH1A1 (0.45) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL14703140 0.84 ALDH1A1 (0.47) SMN1; SMN2NPC1HPGDALDH1A1MAPT
SCHEMBL14703671 0.84 KMT2A (0.48) SMN1; SMN2NPC1ALDH1A1KMT2AKDM4E
SCHEMBL23135383 0.82 PPID (0.50) ALDH1A1PPID
SCHEMBL14703466 0.82 KCNH2 (0.45) HPGDALDH1A1MAPTKMT2AKDM4E

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 3229/4885NPC1 308/4885HPGD 2431/4885

“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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