SCHEMBL7229166

SCHEMBL7229166

Cc1ccc(-n2cc[c]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CNR1 P21554 3/20 0.36
HTT P42858 2/20 0.36
GPR35 Q9HC97 1/20 0.36
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
FLT3 P36888 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
GPR55 Q9Y2T6 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL344002 0.81 NOTUM (0.48) NOTUMADORA3ADORA2AF2FLT3
SCHEMBL1896258 0.79 NOTUM (0.47) NOTUMADORA3HTTFLT3ALDH1A1
SCHEMBL2750145 0.79 NOTUM (0.42) NOTUMALDH1A1POLBKDM4EL3MBTL1
SCHEMBL69609 0.78 NOTUM (0.39) NOTUMADORA3ADORA2AADORA1HTT
SCHEMBL23531125 0.78 CNR1 (0.34) NOTUMCNR1ALDH1A1KMT2APOLB
SCHEMBL16719635 0.77 MAOA (0.39) NOTUMFLT3ALDH1A1KDM4EL3MBTL1
SCHEMBL17710259 0.76 KCNH2 (0.43)
SCHEMBL17710272 0.75 NOTUM (0.41) NOTUMADORA3L3MBTL1MAPTRAB9A
SCHEMBL2752313 0.73 HSD17B10 (0.41) HTTALDH1A1KMT2APOLBTSHR
SCHEMBL2753713 0.72 RXRA (0.36) POLBMAPTLMNAMGLLTP53

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
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed
US-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US disclosed
EP-1095013-A1 PHENYL-METHOXYIMINO-ACETIC ACID DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2001-05-02 EP disclosed
WO-2000003974-A1 PHENYL-METHOXYIMINO-ACETIC ACID DERIVATIVES AS PESTICIDES SYGENTA PARTICIPATIONS AG (CH) 2000-01-27 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 (2 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NOTUM 2417/4885ADORA3 3305/4885ADORA2A 4001/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885ADORA3 3035/4885ADORA2A 3446/4885

“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.