SCHEMBL17356949

SCHEMBL17356949

N=C(NC(=N)N1CC=CCC1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.46
▸ MAPT P10636 2/20 0.43
▸ EPHX1 P07099 2/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL17356932 0.91 EPHX2 (0.48) EPHX2MAPTEPHX1CYP2C9CYP2C19
SCHEMBL17356952 0.86 PRMT5 (0.40) EPHX2MAPTNPC1RAB9A
SCHEMBL17356951 0.84 NPC1 (0.42) EPHX2MAPTNPC1LMNARAB9A
SCHEMBL17356962 0.84 MAPT (0.46) MAPTNPC1LMNARAB9ATDP1
SCHEMBL15830991 0.84 EPHX2 (0.58) EPHX2MAPTEPHX1CYP2C9CYP2C19
Lixumistat SCHEMBL15830992 0.84 EPHX2 (0.61) EPHX2MAPTEPHX1CYP2C9CYP2C19
SCHEMBL17356956 0.83 EPHX2 (0.48) EPHX2NPC1LMNARAB9A
SCHEMBL17356975 0.83 HRH3 (0.39) EPHX2MAPT
Lixumistat SCHEMBL23035318 0.83 EPHX2 (0.60) EPHX2MAPTEPHX1KDM4EKMT2A
SCHEMBL15830993 0.83 EPHX2 (0.64) EPHX2MAPTEPHX1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2019-04-09 — — US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 — — US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 — — US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 — — US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 — — US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 — — US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 — — US 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 (3 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-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKG1, PRKAG1, PRKG2 EPHX2 4222/4885MAPT 2489/4885EPHX1 4027/4885
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same PRKG1, PRKAG1, PRKG2 EPHX2 4222/4885MAPT 2489/4885EPHX1 4027/4885
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PRKG1, PRKAG1, PRKG2 EPHX2 4222/4885MAPT 2489/4885EPHX1 4027/4885

“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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