SCHEMBL17409840

SCHEMBL17409840

Cc1ccc(C(=O)Nc2ncnn2C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
MCL1 Q07820 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL17396495 0.76 POLB (0.33) KMT2ARAB9ANPC1HTTSMN1; SMN2
SCHEMBL19107396 0.75 GAA (0.32) KMT2ARAB9ANPC1HTTSMN1; SMN2
SCHEMBL19107397 0.73 NPC1 (0.34) KMT2ARAB9ANPC1SMN1; SMN2KDR
SCHEMBL21712854 0.72
SCHEMBL17413648 0.72 NPC1 (0.31) KMT2ARAB9ANPC1HTTSMN1; SMN2
SCHEMBL15786299 0.69 SMO (0.45) POLBCYP2C9
SCHEMBL30192798 0.69 TYK2 (0.67) KMT2AMAPTKDM4EALDH1A1GLA
SCHEMBL21246173 0.69 NR3C2 (0.35) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL4147334 0.68 GPR27 (0.72) KMT2AMAPTKDM4EALDH1A1GLA
SCHEMBL6792122 0.68 HDAC7 (0.59) KMT2AMAPTKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160946-B1 HERBICIDAL BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9988359-B2 Herbicidally active benzoic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-9988359-B2 Herbicidally active benzoic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
WO-2016001074-A1 HERBICIDALLY ACTIVE BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2016-01-07 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 (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-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES AOX1, GABRA5, GABRD KMT2A 646/4885MAPT 3336/4885KDM4E 1055/4885

“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.