SCHEMBL345764

SCHEMBL345764

COc1ccc(C(=O)Nc2ccc3c(c2)CC(C(=O)NO)CC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 10/20 0.52
RAB9A P51151 10/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 5/20 0.52
ALOX15 P16050 1/20 0.52
TMPRSS2 O15393 1/20 0.51
OPRM1 P35372 1/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL10197641 0.84 MTNR1A (0.60)
SCHEMBL346412 0.81 MTNR1A (0.47) MCHR1ALDH1A1NPC1RAB9APOLB
SCHEMBL459626 0.81 MTNR1A (0.50) MCHR1NPC1RAB9A
SCHEMBL29588294 0.81 NPC1 (0.56) MCHR1ALDH1A1MAPTKDM4EHPGD
SCHEMBL346286 0.80 CA1 (0.56)
SCHEMBL438194 0.80 KMT2A (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL346641 0.80 GHSR (0.49) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL10265906 0.78 NPC1 (0.51) NPC1RAB9A
SCHEMBL436970 0.77 MTNR1A (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL459910 0.76 MTNR1B (0.58) ALDH1A1NPC1RAB9ATP53OPRM1

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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 MCHR1 3260/4885ALDH1A1 559/4885MAPT 2161/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MCHR1 2145/4885ALDH1A1 185/4885MAPT 1377/4885

“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.