SCHEMBL13316481

SCHEMBL13316481

COCCCOc1cc(Cl)ncn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
ELOVL1 Q9BW60 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CHRM4 P08173 1/20 0.32
MAPK1 P28482 1/20 0.31
DAO P14920 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL22576164 0.96 HDAC1 (0.34) BRAFSMN1; SMN2LMNAHTTELOVL1
SCHEMBL13316484 0.91 ALDH1A1 (0.38) BRAFSMN1; SMN2ELOVL1ALDH1A1HDAC1
SCHEMBL14376107 0.81 ENPP1 (0.41) LMNAHTTELOVL1ALDH1A1HDAC1
SCHEMBL15933168 0.77 HDAC1 (0.36) ELOVL1HDAC1HDAC6HDAC5
SCHEMBL7486936 0.77 THRB (0.38) ELOVL1ALDH1A1HDAC1HDAC6HDAC5
SCHEMBL5386945 0.76 HDAC1 (0.34) ELOVL1HDAC1HDAC6HDAC5
SCHEMBL22576224 0.76 NCF1 (0.36) ELOVL1ALDH1A1HDAC1HDAC6HDAC5
SCHEMBL14387902 0.76 ALDH1A1 (0.39) LMNAHTTALDH1A1HDAC1HDAC6
SCHEMBL31051487 0.76
SCHEMBL31051498 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them BASF SE (DE) 2010-06-24 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-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them G6PD, CYP51A1, ERG28 BRAF 611/4885SMN1; SMN2 4432/4885LMNA 2477/4885

“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.