SCHEMBL345641

SCHEMBL345641

O=C(NO)C1CCc2ccc(Nc3ccncc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 2/20 0.49
HDAC8 Q9BY41 4/20 0.38
P2RX7 Q99572 1/20 0.38
GHSR Q92847 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35

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
SCHEMBL346164 0.87 KMT2A (0.48) ACVRL1HDAC8P2RX7GHSRHDAC6
SCHEMBL346400 0.84 ACVRL1 (0.45) ACVRL1CYP19A1
SCHEMBL10197679 0.82 FAAH (0.44) HDAC8P2RX7HDAC6
SCHEMBL434257 0.81 MCHR1 (0.42) HDAC8P2RX7GHSR
SCHEMBL345656 0.81 MAOB (0.43) HDAC8P2RX7GHSRHDAC6KDM4E
SCHEMBL438194 0.79 KMT2A (0.45) HDAC8GHSRHDAC6KDM4EALDH1A1
SCHEMBL346641 0.79 GHSR (0.49) GHSRKDM4EALDH1A1LMNAHSD17B10
SCHEMBL346830 0.79 FAAH (0.49) RAF1BRAF
SCHEMBL346412 0.79 MTNR1A (0.47) HDAC8ALDH1A1
SCHEMBL461542 0.77 FAAH (0.49) P2RX7HDAC6

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 ACVRL1 1186/4885HDAC8 13/4885P2RX7 3461/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACVRL1 2703/4885HDAC8 19/4885P2RX7 1148/4885

“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.