SCHEMBL4453379

SCHEMBL4453379

Cc1cc(C)cc(-c2ccccc2NC(=O)c2c(C)nn(C)c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM3 P20309 3/20 0.43
HTT P42858 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL4449334 0.94 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACHRM3HTT
SCHEMBL1134839 0.90 CHRM3 (0.46) ALDH1A1MEN1KMT2ACHRM3HTT
SCHEMBL13455819 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL11930691 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL4456702 0.87 TACR1 (0.47) ALDH1A1MEN1KMT2ACHRM3CYP1A2
SCHEMBL176085 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACHRM3HTT
SCHEMBL29419113 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACHRM3HTT
SCHEMBL4456891 0.86 CHRM3 (0.50) ALDH1A1MEN1KMT2ACHRM3RAB9A
SCHEMBL344392 0.84 CHRM3 (0.46) ALDH1A1MEN1KMT2ACHRM3MAPT
SCHEMBL5110175 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US claimed
US-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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 (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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides CBR3, CBR1, STS ALDH1A1 433/4885MEN1 2543/4885KMT2A 2373/4885

“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.