SCHEMBL438194

SCHEMBL438194

O=C(O)Nc1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
GHSR Q92847 1/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HPGD P15428 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL346641 0.89 GHSR (0.49) KMT2AGHSRHPGDNPC1RAB9A
SCHEMBL345545 0.87 NPC1 (0.59) KMT2AGHSRNPC1RAB9AMEN1
SCHEMBL15967913 0.86 RAF1 (0.45)
SCHEMBL346515 0.86 DGAT1 (0.43) GHSRHPGDSMN1; SMN2USP2POLB
SCHEMBL436770 0.84 ULK1 (0.46) KMT2AGHSRITGB3ITGA2BHPGD
SCHEMBL346164 0.84 KMT2A (0.48) KMT2AGHSRHDAC8NPC1RAB9A
SCHEMBL345816 0.84 FAAH (0.44)
SCHEMBL346517 0.83 GHSR (0.49) KMT2AGHSRHPGDNPC1RAB9A
SCHEMBL10265906 0.82 NPC1 (0.51) GHSRHDAC8NPC1RAB9AHDAC6
SCHEMBL5016009 0.80 KMT2A (0.46) KMT2AITGB3ITGA2BHPGDNPC1

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 2 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

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KMT2A 60/4885GHSR 2184/4885ITGB3 1477/4885

“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.