SCHEMBL186647

SCHEMBL186647

COc1ccc(F)c(F)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
TUBB1 Q9H4B7 1/20 0.37
HTT P42858 1/20 0.36
PRKCZ Q05513 1/20 0.36

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
SCHEMBL3649084 0.84 MAPT (0.40) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL13755083 0.82 MAPT (0.42) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL16122424 0.82 ALDH1A1 (0.50) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL14783801 0.81 KDM4E (0.44) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL14782648 0.81 MAPT (0.41) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL15819818 0.81 ALDH1A1 (0.44) MAPTLMNACYP2C9L3MBTL1ALDH1A1
SCHEMBL31124656 0.80 MAPT (0.53) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL7064467 0.80 MAPT (0.53) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL31432707 0.78 LMNA (0.39) MAPTLMNACYP2C9NPC1RAB9A
SCHEMBL29170430 0.78 ENPP2 (0.40) MAPTLMNACYP2C9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116390-A1 PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-06-29 WO disclosed
WO-2023116390-A1 PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-06-29 WO disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-6680402-B2 SUCH AS N-PHENYLACETYL-2-DIFLUOROMETHOXY-6-FLUOROBENZAMIDE-O-CYCLOPROPYLMETHYL OXIME BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-20030120085-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides EICKEN KARL (DE) 2003-06-26 US disclosed
US-6509501-B2 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed
EP-1017670-B1 BENZAMIDOXIM DERIVATIVES, INTERMEDIATE PRODUCTS AND METHODS FOR PREPARING AND USING THEM AS FUNGICIDES BASF AG (DE) 2002-11-27 EP disclosed
EP-1254102-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
US-20020133025-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides EICKEN KARL (DE) 2002-09-19 US disclosed
US-6420605-B1 DIFLUOROMETHYL ETHERS OF BENZAMIDOXIME COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
WO-2001055086-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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 (5 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-20020133025-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides CBR1, CBR3, CYP1B1 MAPT 4588/4885LMNA 1844/4885CYP2C9 42/4885
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 MAPT 1942/4885LMNA 4549/4885CYP2C9 330/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 MAPT 323/4885LMNA 1612/4885CYP2C9 10/4885
US-20030120085-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides CBR1, CBR3, CYP1B1 MAPT 4588/4885LMNA 1844/4885CYP2C9 42/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAPT 323/4885LMNA 1612/4885CYP2C9 10/4885

“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.