SCHEMBL87412

SCHEMBL87412

CC(C)(C)c1ocnc1C=c1[nH]c(=O)c(=Cc2ccccc2[N+](=O)[O-])[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ XDH P47989 2/20 0.39
▸ TDP2 O95551 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TUBB4A P04350 2/20 0.36
▸ TUBB P07437 2/20 0.36
▸ TUBA3C P0DPH7 2/20 0.36
▸ TUBA1B P68363 2/20 0.36
▸ TUBA4A P68366 2/20 0.36

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
SCHEMBL79479 1.00 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL87391 0.84 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL79455 0.84 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL83821 0.83 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL79640 0.83 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL88053 0.83 TUBB4A (0.49) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL79114 0.83 TUBB4A (0.49) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL66008 0.82 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL66006 0.82 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL80720 0.82 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19RAF1CDK1

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-8618292-B2 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. (US) 2013-12-31 — — US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 — — US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 — — US disclosed
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 (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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS CYP1A2 1594/4885CYP2C9 3869/4885CYP2C19 2655/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS CYP1A2 2042/4885CYP2C9 4257/4885CYP2C19 3184/4885

“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.

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