SCHEMBL14973166

SCHEMBL14973166

Cn1ncc(-c2nc(-c3ccc(N)nc3)no2)c1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.41
HDAC6 Q9UBN7 9/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC5 Q9UQL6 4/20 0.41
GABRA5 P31644 1/20 0.39
PDE2A O00408 2/20 0.37
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.34
S1PR1 P21453 1/20 0.34
STAT3 P40763 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
SCHEMBL14973342 0.92 GABRA5 (0.41) HDAC1HDAC6HDAC8HDAC5GABRA5
SCHEMBL14984863 0.91 HDAC1 (0.43) HDAC1HDAC6HDAC8HDAC5GABRA5
SCHEMBL14972955 0.89 SMPD1 (0.40) HDAC1HDAC6HDAC5PDE2ACHUK
SCHEMBL14973258 0.88 S1PR1 (0.39) HDAC1HDAC6HDAC8HDAC5GABRA5
SCHEMBL14973389 0.88 S1PR1 (0.45) HDAC1HDAC6HDAC8GABRA5S1PR1
SCHEMBL15150652 0.88 GABRA5 (0.39) HDAC1HDAC6HDAC8HDAC5GABRA5
SCHEMBL14972950 0.87 S1PR1 (0.46) GABRA5CHUKTXNRD1NOX4POLB
SCHEMBL14973327 0.86 GABRA5 (0.42) HDAC1HDAC6HDAC8GABRA5PDE2A
SCHEMBL14973240 0.84 POLB (0.46) HDAC1HDAC6HDAC8HDAC5GABRA5
SCHEMBL14973234 0.84 PLAT (0.39) HDAC1HDAC6HDAC8HDAC5GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A HDAC1 239/4885HDAC6 283/4885HDAC8 1570/4885

“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.