SCHEMBL1643692

SCHEMBL1643692

C=CCc1ccc([N+](=O)[O-])cc1NN=C(N)N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ MAPT P10636 7/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PLAU P00749 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALPI P09923 1/20 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
Nitric Acid SCHEMBL1644459 0.97 KMT2A (0.42) KMT2AMEN1F2PRSS1PRSS2
Guanidine SCHEMBL1643693 0.75 GAA (0.50) KMT2AMEN1PRSS1PRSS2PRSS3
SCHEMBL1644916 0.74 CYP3A4 (0.51) KMT2AMEN1MAPTTDP1CYP1A2
SCHEMBL3161586 0.73 GPR35 (0.51) KMT2AMEN1MAPK1TDP1CYP1A2
Guanidine SCHEMBL1644457 0.73 GAA (0.47) KMT2AMEN1PRSS1PRSS2PRSS3
Nitric Acid SCHEMBL1644176 0.73 ALDH1A1 (0.52) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9683795 0.71 TDP1 (0.50) KMT2AMEN1PRSS1PRSS2PRSS3
SCHEMBL7080582 0.71 CYP1A2 (0.57) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL30496244 0.71 CYP1A2 (0.57) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL17182634 0.70 ALDH1A1 (0.47) KMT2AMEN1MAPTTDP1CYP1A2

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-20110097268-A1 RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-04-28 — — US disclosed
WO-2008024829-A2 RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-02-28 — — WO 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-20110097268-A1 RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS ROS1, HRAS, MYC KMT2A 781/4885MEN1 778/4885F2 4822/4885

“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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