SCHEMBL460968

SCHEMBL460968

CNCC(=O)Nc1ccc2c(c1)CCC(C(=O)NO)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MCHR1 Q99705 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP8 P22894 1/20 0.38

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
SCHEMBL461262 0.88 GHSR (0.42) GHSRRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL345556 0.85 ALDH1A1 (0.48) GHSRRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL346517 0.82 GHSR (0.49) GHSRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL438194 0.77 KMT2A (0.45) GHSRRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL346641 0.77 GHSR (0.49) GHSRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL459914 0.77 MMP8 (0.44) GHSRRAB9ANPC1MCHR1MMP8
SCHEMBL436764 0.77 MMP8 (0.44) GHSRRAB9ANPC1MCHR1MMP8
SCHEMBL345716 0.75 KHK (0.40) GHSRRAB9ANPC1MCHR1
SCHEMBL346412 0.75 MTNR1A (0.47) RAB9ANPC1ALDH1A1MCHR1CA1
SCHEMBL436877 0.74 PSMB8 (0.48) GHSRRAB9ANPC1HPGD

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
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

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 GHSR 1236/4885RAB9A 1979/4885NPC1 2892/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GHSR 2184/4885RAB9A 939/4885NPC1 3030/4885

“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.