SCHEMBL1644916

SCHEMBL1644916

C=CCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 2/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 7/20 0.50
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.47
POLB P06746 3/20 0.46
HTT P42858 2/20 0.45
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
GFER P55789 2/20 0.43
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
APEX1 P27695 1/20 0.41
CASP6 P55212 1/20 0.41

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
Guanidine SCHEMBL1643693 0.94 GAA (0.50) CYP3A4GAATSHRTHRBTDP1
Guanidine SCHEMBL1644457 0.91 GAA (0.47) CYP3A4GAATSHRTHRBTDP1
SCHEMBL9683795 0.90 TDP1 (0.50) CYP3A4GAATSHRTHRBTDP1
SCHEMBL30496244 0.83 CYP1A2 (0.57) CYP3A4GAATSHRTDP1ALDH1A1
SCHEMBL7080582 0.83 CYP1A2 (0.57) CYP3A4GAATSHRTDP1ALDH1A1
SCHEMBL588348 0.82 CYP3A4 (0.63) CYP3A4GAATSHRTHRBTDP1
SCHEMBL3055585 0.82 TDP1 (0.44) CYP3A4GAATSHRTHRBTDP1
SCHEMBL10590043 0.81 POLB (0.51) CYP3A4GAATSHRTHRBTDP1
SCHEMBL17182634 0.81 ALDH1A1 (0.47) TSHRTDP1ALDH1A1POLBMEN1
SCHEMBL3161586 0.81 GPR35 (0.51) GAATSHRTHRBTDP1ALDH1A1

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 CYP3A4 1907/4885GAA 3168/4885TSHR 797/4885

“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.