SCHEMBL10197667

SCHEMBL10197667

CC(=O)Nc1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.53
AAK1 Q2M2I8 1/20 0.47
PIP5K1C O60331 1/20 0.44
PIK3CA P42336 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
HDAC1 Q13547 1/20 0.43
OGG1 O15527 1/20 0.43
CYP17A1 P05093 5/20 0.43
CYP3A4 P08684 3/20 0.43
GHSR Q92847 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
NQO2 P16083 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL438630 0.95 GRIA2 (0.53) GRIA2AAK1PIP5K1CPIK3CAHSD17B1
SCHEMBL346350 0.91 MAPK1 (0.48) GRIA2AAK1GHSRPOLBPARP1
SCHEMBL346515 0.90 DGAT1 (0.43) GRIA2GHSRPOLBPARP1PARP15
SCHEMBL346777 0.88 KDM4E (0.45) GRIA2HDAC1CYP3A4GHSRMAPT
SCHEMBL10197734 0.86 CYP17A1 (0.47) GRIA2HDAC1CYP17A1GHSR
SCHEMBL346564 0.84 KMT2A (0.47) GHSRPOLB
SCHEMBL10197674 0.84 RAF1 (0.47) GHSRTP53PIP4K2APIP4K2BALDH1A1
SCHEMBL459845 0.83 FAAH (0.49) HDAC1GHSR
SCHEMBL10260016 0.83 FAAH (0.51) HDAC1GHSR
SCHEMBL346051 0.81 CA1 (0.47) PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRIA2 237/4885AAK1 4580/4885PIP5K1C 2837/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GRIA2 674/4885AAK1 4555/4885PIP5K1C 3380/4885

“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.