SCHEMBL91434

SCHEMBL91434

Cc1ccc(N=O)cc1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.59
TUBB P07437 2/20 0.59
TUBA3C P0DPH7 2/20 0.59
TUBA1B P68363 2/20 0.59
TUBA4A P68366 2/20 0.59
TUBB4B P68371 2/20 0.59
TUBB3 Q13509 2/20 0.59
TUBB2A Q13885 2/20 0.59
TUBB8 Q3ZCM7 2/20 0.59
TUBA3E Q6PEY2 2/20 0.59
TUBA1A Q71U36 2/20 0.59
TUBA1C Q9BQE3 2/20 0.59
TUBB6 Q9BUF5 2/20 0.59
TUBB2B Q9BVA1 2/20 0.59
TUBB1 Q9H4B7 2/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
RAF1 P04049 1/20 0.57
CDK1 P06493 1/20 0.57

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
SCHEMBL12672900 0.88 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL79655 0.86 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12727790 0.83 CYP1A2 (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL79672 0.82 CYP1A2 (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12545889 0.81 CYP1A2 (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL79763 0.79 CYP1A2 (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12545503 0.79 CYP1A2 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL65201 0.78 CYP1A2 (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL65200 0.78 CYP1A2 (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30743908 0.78 TUBB4A (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 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 (1 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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS TUBB4A 369/4885TUBB 803/4885TUBA3C 2415/4885

“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.