SCHEMBL14637607

SCHEMBL14637607

Cc1cc(C(F)=Cc2ccc(CN(C(C)C)C(C)C)cc2)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MME P08473 1/20 0.31
▸ ALPL P05186 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL14637606 1.00 HDAC1 (0.35) HDAC1HDAC8HDAC6DAOHCAR2
SCHEMBL14636963 0.84 MME (0.36) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14636961 0.84 MME (0.36) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14638475 0.79 DAO (0.39) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14637909 0.75 DAO (0.40) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14637910 0.75 DAO (0.40) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14638296 0.74 DAO (0.39) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14638297 0.74 DAO (0.39) DAOHCAR2ALDH1A1MEN1KMT2A
SCHEMBL14637852 0.74 DHODH (0.47) DAOHCAR2MEN1KMT2ANPC1
SCHEMBL14653504 0.74 NPC1 (0.43) DAOHCAR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A HDAC1 501/4885HDAC8 922/4885HDAC6 1586/4885

“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.

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