SCHEMBL16233111

SCHEMBL16233111

O=Cc1oc(-c2ccc([N+](=O)[O-])cc2)cc1COC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 7/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.32

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
SCHEMBL16233110 0.81 MAPT (0.52) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL5206947 0.75 IDO1 (0.46) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL16197340 0.74 CYP1A2 (0.40) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL5078481 0.74 ALDH1A1 (0.40) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL16231354 0.74 CDK1 (0.47) MAPTKMT2AALDH1A1MEN1TNKS
SCHEMBL17367651 0.73 TNKS (0.46) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL9798503 0.73 ALDH1A1 (0.34) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL11068614 0.72 KDM4E (0.49) HPGDMAPTKMT2AALDH1A1KDM4E
SCHEMBL20828385 0.71 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL9583765 0.70 KMT2A (0.46) MAPTKMT2AALDH1A1MEN1KDM4E

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-9433608-B2 Compositions and method for treatment of ischemic neuronal reperfusion injury HOWARD UNIVERSITY (US) 2016-09-06 — — US disclosed
US-9248118-B2 Compositions and method for treatment of ischemic neuronal reperfusion injury HOWARD UNIVERSITY (US) 2016-02-02 — — US disclosed
US-8993512-B2 Compositions and method for treatment of ischemic neuronal reperfusion injury HOWARD UNIVERSITY (US) 2015-03-31 — — US disclosed
US-20140336120-A1 Compositions And Method For Treatment Of Ischemic Neuronal Reperfusion Injury HOWARD UNIVERSITY (US) 2014-11-13 — — US disclosed
US-20140336183-A1 Compositions And Method For Treatment Of Ischemic Neuronal Reperfusion Injury HOWARD UNIVERSITY 2014-11-13 — — 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-20140336120-A1 Compositions And Method For Treatment Of Ischemic Neuronal Reperfusion Injury BDNF, GAP43, BAX HPGD 1970/4885MAPT 503/4885KMT2A 4472/4885
US-20140336183-A1 Compositions And Method For Treatment Of Ischemic Neuronal Reperfusion Injury GRIN3A, GRIN3B, GRIK3 HPGD 1455/4885MAPT 1504/4885KMT2A 3827/4885

“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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