SCHEMBL12879438

SCHEMBL12879438

C=C1C=C(CBr)c2cc3c4c(c2O1)CCCN4CCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ USP2 O75604 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ RECQL P46063 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TLR9 Q9NR96 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
SCHEMBL12879436 0.88 KMT2A (0.36) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL14325927 0.88 KMT2A (0.43) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL16572446 0.88 KMT2A (0.36) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL13484140 0.86 KMT2A (0.38) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL14325928 0.83 KMT2A (0.36) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL13484108 0.83 KMT2A (0.33) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL15187872 0.81 KMT2A (0.38) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL14413591 0.78 KMT2A (0.42) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL16978115 0.76 ALDH1A1 (0.34) KMT2AMEN1USP2ALDH1A1GAA
SCHEMBL11367407 0.74 KMT2A (0.44) KMT2AMEN1USP2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation 2016-11-17 — — US disclosed
US-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels LIFE TECHNOLOGIES CORP (US) 2015-08-06 — — US disclosed
US-8981100-B2 Use of novel coumarins as glutathione and thiol labels Life Technologies Corporation (US) 2015-03-17 — — US disclosed
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation (US) 2011-02-24 — — 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 (3 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-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 KMT2A 4686/4885MEN1 4693/4885USP2 1543/4885
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 KMT2A 4686/4885MEN1 4693/4885USP2 1543/4885
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 KMT2A 4601/4885MEN1 4727/4885USP2 1667/4885

“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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