SCHEMBL12620639

SCHEMBL12620639

Cc1ccc2nc3ccc(N)cc3[s+]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
NCK1 P16333 1/20 0.43
BACE1 P56817 1/20 0.43
CASP6 P55212 1/20 0.43
NQO2 P16083 1/20 0.42
MAPT P10636 9/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 4/20 0.42
HSD17B10 Q99714 4/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
APP P05067 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
TP53 P04637 3/20 0.41
MEN1 O00255 2/20 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
SCHEMBL146313 0.88 KMT2A (0.50) KDM4ELMNAPOLBCASP6MAPT
SCHEMBL30165715 0.88 KMT2A (0.50) KDM4ELMNAPOLBCASP6MAPT
Iodide SCHEMBL11279046 0.86 KMT2A (0.48) KDM4ELMNAPOLBCASP6MAPT
Hydrochloric Acid SCHEMBL40555 0.86 MAPT (0.50) KDM4ELMNAPOLBCASP6MAPT
SCHEMBL9609739 0.81 APAF1 (0.44) KDM4ENCK1BACE1NQO2MAPT
SCHEMBL13097884 0.81 APAF1 (0.44) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL12273001 0.79 HTR3A (0.48) KDM4ELMNAPOLBCASP6NQO2
Acetic Acid SCHEMBL755557 0.79 CHEK1 (0.41) KDM4ELMNAPOLBCASP6NQO2
Acetic Acid SCHEMBL755555 0.79 NQO2 (0.42) KDM4ELMNAPOLBCASP6NQO2
Iodide SCHEMBL12813166 0.78 HTR3A (0.47) KDM4ELMNAPOLBCASP6NQO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160248099-A1 OXYGEN REDUCTION CATALYSTS IMPERIAL INNOVATIONS LIMITED (GB) 2016-08-25 US disclosed
US-7951607-B2 Compositions and methods for detecting nerve agents UNIVERSITY OF WYOMING (US) 2011-05-31 US disclosed
US-20100130757-A1 COMPOSITIONS AND METHODS FOR DETECTING NERVE AGENTS UNIVERSITY OF WYOMING (US) 2010-05-27 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-20100130757-A1 COMPOSITIONS AND METHODS FOR DETECTING NERVE AGENTS PHOSPHO1, NCS1, GAP43 KDM4E 1627/4885LMNA 1028/4885POLB 832/4885

“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.