SCHEMBL8829680

SCHEMBL8829680

N#CNc1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SYK P43405 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
P2RX1 P51575 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KIF11 P52732 1/20 0.42
CTSC P53634 1/20 0.41
GALR2 O43603 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
SCHEMBL15754935 0.85 ABL1 (0.45) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL1188516 0.83 SLC22A12 (0.49) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL9189629 0.80 SLC22A12 (0.51) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL15755676 0.79 GRM4 (0.49) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL734644 0.79 ICMT (0.44) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL27927365 0.78 SLC22A12 (0.50) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL1674894 0.77 NPC1 (0.49) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL2200284 0.77 SLC22A12 (0.49) SLC22A12EPHX2ALDH1A1SYKGAA
SCHEMBL11685848 0.77 KDM4E (0.35) ALDH1A1GAAMAPTTSHRHTT
SCHEMBL1921305 0.77 KIF11 (0.58) SLC22A12EPHX2ALDH1A1SYKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140154182-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND STICHTING VU-VUMC (NL) 2014-06-05 US disclosed
US-20140154182-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND STICHTING VU-VUMC (NL) 2014-06-05 US disclosed
WO-2012165956-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2012-12-06 WO disclosed
CN-1125045-C Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2003-10-22 CN disclosed
CN-1073099-C Process for producing intermecliates used in process for producing 2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2001-10-17 CN disclosed
CN-1228420-A Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 1999-09-15 CN disclosed
CN-1225363-A Process for producing intermediate in process for producing 2-iminothiazoline derivative SUMITOMO CHEMICAL CO (JP) 1999-08-11 CN disclosed
CN-1042224-C Process for preparing 2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 1999-02-24 CN disclosed
US-5684196-A N-SUBSTITUTED-N-ARYLCYANAMIDE SUMITOMO CHEMICAL CO., LTD. (JP) 1997-11-04 US disclosed
US-5648533-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL CO., LTD. (JP) 1997-07-15 US disclosed
EP-0600489-B1 Process for producing 2-iminothiazoline derivatives and process for producing their intermediates SUMITOMO CHEMICAL CO (JP) 1996-11-06 EP disclosed
US-5463069-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
CN-1097007-A Process for preparing 2-iminothiazoline derivatives and process for preparing intermediates thereof SUMITOMO CHEMICAL CO (JP) 1995-01-04 CN disclosed
EP-0600489-A1 Process for producing 2-iminothiazoline derivatives and process for producing their intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-06-08 EP 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-20140154182-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND PRMT3, NR4A3, GFRA3 SLC22A12 2356/4885EPHX2 3660/4885ALDH1A1 2477/4885

“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.