SCHEMBL436838

SCHEMBL436838

O=C(NO)C1CCc2ccc(-c3ccccc3Cl)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
ABL1 P00519 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MCHR1 Q99705 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
OPRD1 P41143 1/20 0.41
NPY5R Q15761 1/20 0.40
FABP4 P15090 4/20 0.39
DHODH Q02127 1/20 0.38
GHSR Q92847 1/20 0.38
FABP3 P05413 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL10197741 0.84 HSD17B3 (0.47) HDAC6HDAC8PDK1PDK2PDK3
SCHEMBL10260016 0.84 FAAH (0.51) HDAC6HDAC8ADRB1ADRB3GHSR
SCHEMBL435688 0.83 ADRB3 (0.47) P2RX7HDAC6HDAC8CA1CA2
SCHEMBL346051 0.82 CA1 (0.47) P2RX7HDAC6HDAC8CA1CA2
SCHEMBL459845 0.82 FAAH (0.49) HDAC6HDAC8ADRB1ADRB3GHSR
SCHEMBL435997 0.81 HDAC8 (0.48) P2RX7HDAC6HDAC8ADRB1ADRB3
SCHEMBL460305 0.81 MCL1 (0.39) P2RX7HDAC6HDAC8ABL1ADRB1
SCHEMBL437694 0.81 GSK3B (0.47) P2RX7HDAC6HDAC8GHSRFAAH
SCHEMBL460551 0.79 TDO2 (0.41)
SCHEMBL438347 0.79 ERN1 (0.42) P2RX7HDAC6HDAC8GHSRFAAH

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 P2RX7 3461/4885HDAC6 1/4885HDAC8 13/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 P2RX7 1148/4885HDAC6 1/4885HDAC8 19/4885

“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.