SCHEMBL434257

SCHEMBL434257

O=C(NO)C1CCc2cc(Nc3ccc(Cl)cc3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 1/20 0.39
GHSR Q92847 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL346412 0.85 MTNR1A (0.47) MCHR1RAB9AHDAC8
SCHEMBL346797 0.84 FAAH (0.45) MCHR1P2RX7HDAC8
SCHEMBL461373 0.84 ACVRL1 (0.48) MCHR1RAB9AP2RX7GHSRKMT2A
SCHEMBL345656 0.84 MAOB (0.43) RAB9AP2RX7GHSRKMT2AHDAC8
SCHEMBL346164 0.83 KMT2A (0.48) GAARAB9AP2RX7GHSRKMT2A
SCHEMBL345641 0.81 ACVRL1 (0.49) P2RX7GHSRHDAC8
SCHEMBL346517 0.80 GHSR (0.49) GAARAB9AGHSRKMT2A
SCHEMBL435688 0.79 ADRB3 (0.47) P2RX7HDAC8
SCHEMBL459910 0.79 MTNR1B (0.58) RAB9A
SCHEMBL345753 0.77 AURKA (0.45) KMT2A

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 MCHR1 3260/4885GAA 336/4885RAB9A 1979/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MCHR1 2145/4885GAA 758/4885RAB9A 939/4885

“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.