SCHEMBL438347

SCHEMBL438347

O=C(NO)C1CCc2ccc(-c3csc4ccccc34)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
HDAC2 Q92769 2/20 0.42
PTGER2 P43116 1/20 0.39
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MTNR1A P48039 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FAAH O00519 4/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL460305 0.80 MCL1 (0.39) HDAC2HDAC1HDAC8HDAC6FAAH
SCHEMBL436838 0.79 P2RX7 (0.46) HDAC8HDAC6FAAHP2RX7GHSR
SCHEMBL10260016 0.79 FAAH (0.51) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL460551 0.78 TDO2 (0.41) MTNR1A
SCHEMBL436715 0.77 APP (0.42) ERN1HDAC2HDAC3HDAC4HDAC1
SCHEMBL459845 0.77 FAAH (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10197741 0.76 HSD17B3 (0.47) HDAC8HDAC6MTNR1AFAAH
SCHEMBL437694 0.76 GSK3B (0.47) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10197679 0.74 FAAH (0.44) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL460364 0.73 ABL1 (0.46) HDAC7HDAC8GHSR

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 ERN1 3687/4885HDAC2 3/4885PTGER2 2325/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ERN1 4089/4885HDAC2 7/4885PTGER2 2493/4885

“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.