SCHEMBL461373

SCHEMBL461373

O=C(NO)C1CCc2cc(Nc3ccccc3Cl)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.48
MAPK14 Q16539 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 1/20 0.44
GHSR Q92847 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPK13 O15264 1/20 0.37

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
SCHEMBL461445 0.84 NPC1 (0.49) MAPK14NPC1RAB9AGHSRALDH1A1
SCHEMBL434257 0.84 MCHR1 (0.42) RAB9AKMT2AP2RX7GHSRMCHR1
SCHEMBL346164 0.80 KMT2A (0.48) ACVRL1MAPK14MEN1NPC1RAB9A
SCHEMBL345656 0.79 MAOB (0.43) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL346517 0.77 GHSR (0.49) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL346412 0.77 MTNR1A (0.47) MAPK14NPC1RAB9AMCHR1ALDH1A1
SCHEMBL459910 0.76 MTNR1B (0.58) MAPK14NPC1RAB9AALDH1A1CASP3
SCHEMBL366547 0.76 P2RX7 (0.55) P2RX7GHSR
SCHEMBL346797 0.74 FAAH (0.45) P2RX7MCHR1
SCHEMBL345545 0.73 NPC1 (0.59) MEN1NPC1RAB9AKMT2AGHSR

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 ACVRL1 1186/4885MAPK14 3347/4885MEN1 3294/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACVRL1 2703/4885MAPK14 4400/4885MEN1 3777/4885

“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.