SCHEMBL14973304

SCHEMBL14973304

Cc1ccc(-c2noc(-c3cnn(C)c3COc3ccc(C(F)(F)F)cc3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC5 Q9UQL6 2/20 0.41
SMPD1 P17405 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.40
S1PR1 P21453 2/20 0.40
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
HDAC4 P56524 2/20 0.39
PPARD Q03181 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
GSTP1 P09211 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
SCHEMBL14972918 0.90 HDAC1 (0.50) LMNATHRBHDAC1HDAC6HDAC5
SCHEMBL14972955 0.90 SMPD1 (0.40) LMNATHRBHDAC1HDAC6HDAC5
SCHEMBL14972999 0.89 HDAC1 (0.42) LMNATHRBHDAC1HDAC6HDAC5
SCHEMBL14973256 0.89 SMPD1 (0.40) LMNATHRBSMPD1KDM4ENPC1
SCHEMBL14973330 0.89 CHUK (0.48) LMNATHRBSMPD1KDM4ENPC1
SCHEMBL14973249 0.89 CXCR1 (0.46) LMNATHRBSMPD1KDM4ENPC1
SCHEMBL14973300 0.89 NR1H4 (0.47) LMNATHRBSMPD1NPC1RAB9A
SCHEMBL14973239 0.88 SMPD1 (0.41) LMNATHRBHDAC1HDAC6HDAC5
SCHEMBL14973060 0.88 S1PR1 (0.53) LMNAKDM4ENPC1RAB9AS1PR1
SCHEMBL14973124 0.87 CHUK (0.47) LMNATHRBSMPD1KDM4ENPC1

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 LMNA 4849/4885THRB 554/4885HDAC1 239/4885

“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.