Sugi Predict

Sugi Predict / Compounds / SCHEMBL2118220

SCHEMBL2118220

SCHEMBL2118220

O=C(NO)c1ccc2c(=O)[nH]c(CCc3ccccc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.69
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55
▸ TUBB2B Q9BVA1 1/20 0.55
▸ TUBB1 Q9H4B7 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PDE5A O76074 1/20 0.53
▸ HDAC1 Q13547 4/20 0.51

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
SCHEMBL439184 0.88 KDM4E (0.68) HDAC6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18229598 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8
SCHEMBL404924 0.81 KDM4E (0.65) HDAC6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2118264 0.79 KDM4E (0.46) HDAC6KDM4ERECQLPDE5AHDAC1
SCHEMBL2119052 0.79 POLB (0.51) HDAC6KDM4ERECQLPDE5AHDAC1
SCHEMBL2116521 0.79 POLB (0.51) HDAC6KDM4ERECQLPDE5AHDAC1
SCHEMBL2115685 0.79 KDM4E (0.52) HDAC6KDM4ERECQLPDE5AHDAC1
SCHEMBL2117076 0.78 HDAC6 (0.77) HDAC6HDAC1HDAC8PARP1
SCHEMBL11288070 0.78 PDE10A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29764103 0.78 PDE10A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885TUBB4A 140/4885TUBB 72/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885TUBB4A 140/4885TUBB 72/4885

“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.