SCHEMBL10197705

SCHEMBL10197705

O=C(NC1CC1)c1cccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
PKM P14618 1/20 0.54
ADRB3 P13945 5/20 0.47
ADRB1 P08588 3/20 0.47
HDAC8 Q9BY41 3/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRAF P15056 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
FAAH O00519 2/20 0.41
GRM5 P41594 1/20 0.41
CCR3 P51677 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
SCHEMBL433464 0.84 MAPK14 (0.49) NPC1ADRB3HDAC8RAB9ASMN1; SMN2
SCHEMBL10197645 0.83 FAAH (0.54) FAAH
SCHEMBL10197649 0.81 ADRB3 (0.49) ADRB3ADRB1HDAC8FAAH
SCHEMBL461379 0.79 FAAH (0.44) ADRB3ADRB1BRAFFAAH
SCHEMBL345816 0.79 FAAH (0.44) BRAFFAAH
SCHEMBL345624 0.79 MTNR1A (0.51) HPGDSMN1; SMN2BRAF
SCHEMBL10197685 0.79 FAAH (0.60) FAAH
SCHEMBL10197674 0.78 RAF1 (0.47) NPC1ADRB3ADRB1RAB9ASMN1; SMN2
SCHEMBL459415 0.78 FAAH (0.43) BRAFFAAH
SCHEMBL459911 0.78 MCHR1 (0.38) ADRB3ADRB1HDAC8BRAFFAAH

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 NPC1 2892/4885PKM 1564/4885ADRB3 2139/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NPC1 3030/4885PKM 1171/4885ADRB3 1184/4885

“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.