SCHEMBL346412

SCHEMBL346412

COc1ccc(Nc2ccc3c(c2)CCC(C(=O)NO)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MCHR1 Q99705 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MMP8 P22894 4/20 0.43
MMP3 P08254 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL459910 0.91 MTNR1B (0.58) MTNR1AMTNR1BNPC1RAB9AMAPK14
SCHEMBL346286 0.89 CA1 (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL345640 0.88 NPC1 (0.49) MTNR1AMTNR1BNPC1POLBRAB9A
SCHEMBL434257 0.85 MCHR1 (0.42) RAB9AMCHR1HDAC8
SCHEMBL10197641 0.83 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL461445 0.83 NPC1 (0.49) MTNR1AMTNR1BNPC1RAB9AMAPK14
SCHEMBL345764 0.81 MCHR1 (0.57) NPC1POLBRAB9AMCHR1MAPK14
SCHEMBL346164 0.81 KMT2A (0.48) MTNR1AMTNR1BNPC1RAB9AMAPK14
SCHEMBL459626 0.80 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AMCHR1
SCHEMBL345641 0.79 ACVRL1 (0.49) ALDH1A1HDAC8

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 7 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
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 MTNR1A 1579/4885MTNR1B 1240/4885NPC1 2892/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885NPC1 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.