SCHEMBL435206

SCHEMBL435206

C[C](C)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.54
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GGPS1 O95749 1/20 0.50
HTT P42858 3/20 0.47
ERCC1 P07992 3/20 0.44
ERCC4 Q92889 3/20 0.44
LMNA P02545 1/20 0.44
NLRP1 Q9C000 1/20 0.44
ALDH1A1 P00352 1/20 0.44
P2RX7 Q99572 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29712851 0.83 IDO1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL157921 0.83 IDO1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL5000353 0.83 IDO1 (0.51) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL27516403 0.83 IDO1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL11502956 0.83 IDO1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL11502955 0.83 IDO1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2366457 0.80 MEN1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL9729607 0.80 HTT (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2366462 0.80 MEN1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL12082173 0.80 MEN1 (0.50) IDO1MAPK1CYP1A2CYP3A4CYP2C9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272107-B Pyrimidine derivatives and their use for combating undesired vegetation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-14 CN disclosed
CN-104203925-A 5-aminopyrimidine derivatives and use thereof for combating undesired plant growth BAYER IP GMBH 2014-12-10 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-5466821-A Triazole ring containing fungicides, intermediates ZENECA LIMITED (GB) 1995-11-14 US disclosed
US-5194441-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 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 (6 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 IDO1 20/4885MAPK1 3473/4885CYP1A2 104/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 IDO1 247/4885MAPK1 1289/4885CYP1A2 79/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 IDO1 1514/4885MAPK1 136/4885CYP1A2 3133/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 IDO1 974/4885MAPK1 135/4885CYP1A2 2665/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 IDO1 495/4885MAPK1 219/4885CYP1A2 979/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 IDO1 279/4885MAPK1 2765/4885CYP1A2 100/4885

“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.