SCHEMBL461445

SCHEMBL461445

COc1ccccc1Nc1ccc2c(c1)CCC(C(=O)NO)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPK14 Q16539 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
OPRM1 P35372 1/20 0.43
EPHX2 P34913 1/20 0.41
TYK2 P29597 1/20 0.41
GHSR Q92847 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
OPRD1 P41143 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL461373 0.84 ACVRL1 (0.48) NPC1RAB9AMAPK14SMN1; SMN2GHSR
SCHEMBL459910 0.83 MTNR1B (0.58) NPC1RAB9AMAPK14OPRM1ALDH1A1
SCHEMBL346412 0.83 MTNR1A (0.47) NPC1RAB9AMAPK14ALDH1A1MTNR1A
SCHEMBL346164 0.77 KMT2A (0.48) NPC1RAB9AMAPK14SMN1; SMN2GHSR
SCHEMBL10197741 0.76 HSD17B3 (0.47) EPHX2OPRD1MTNR1AMTNR1B
SCHEMBL346286 0.76 CA1 (0.56) MTNR1AMTNR1B
SCHEMBL434257 0.76 MCHR1 (0.42) RAB9AGHSR
SCHEMBL346517 0.74 GHSR (0.49) NPC1RAB9AMAPK14SMN1; SMN2GHSR
SCHEMBL346349 0.74 MTNR1A (0.64) EPHX2MAPTALOX15MTNR1AMTNR1B
SCHEMBL366547 0.72 P2RX7 (0.55) GHSRMTNR1AMTNR1B

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 6 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
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 2892/4885RAB9A 1979/4885MAPK14 3347/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NPC1 3030/4885RAB9A 939/4885MAPK14 4400/4885

“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.