SCHEMBL4372432

SCHEMBL4372432

Oc1c(Cl)cc(-c2ncnn2Cc2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 7/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
NPBWR1 P48145 1/20 0.41
P2RX7 Q99572 2/20 0.39
P2RY14 Q15391 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL4505012 0.80 HDAC1 (0.44) NR1H2NR1H3NPBWR1P2RX7P2RY14
SCHEMBL4496912 0.74 HSD17B13 (0.44) HSD17B13P2RX7HDAC1HDAC6PDE2A
SCHEMBL4516945 0.73 HSD17B13 (0.42) HSD17B13P2RX7HDAC1HDAC6
SCHEMBL1114336 0.70 KDM4E (0.39) HSD17B13NR1H2NR1H3P2RX7KDM4E
SCHEMBL1114833 0.68 HSD17B13 (0.38) HSD17B13NR1H2NR1H3NPBWR1P2RX7
SCHEMBL4355638 0.68 UTS2R (0.51) HSD17B13P2RX7KDM4EALDH1A1ATM
SCHEMBL18980016 0.65 RAB9A (0.70) NR1H2NR1H3NPBWR1P2RX7ALDH1A1
SCHEMBL1491106 0.65 KDM4E (0.46) NR1H2NR1H3NPBWR1P2RX7KDM4E
SCHEMBL11038617 0.64 NPBWR1 (0.49) NR1H2NR1H3NPBWR1KDM4EALDH1A1
SCHEMBL5810445 0.64 P2RX7 (0.51) NR1H2NR1H3NPBWR1P2RX7KDM4E

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
WO-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885AVPR2 281/4885AVPR1A 837/4885

“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.