Mol-4239

Mol-4239

SCHEMBL1316581

C[C@H](NC(=O)C(C#N)=CC=Cc1cccc(Br)n1)c1ccccc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.77
KMT2A Q03164 9/20 0.60
MEN1 O00255 7/20 0.60
USP9X Q93008 2/20 0.56
UCHL1 P09936 1/20 0.56
USP5 P45974 1/20 0.56
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
RGS12 O14924 2/20 0.47
GMNN O75496 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 2/20 0.47

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
Mol-4239 SCHEMBL29818004 1.00 STAT3 (0.77) STAT3KMT2AMEN1USP9XUCHL1
Mol-4239 SCHEMBL1318844 1.00 STAT3 (0.77) STAT3KMT2AMEN1USP9XUCHL1
Mol-4239 SCHEMBL862248 1.00 STAT3 (0.77) STAT3KMT2AMEN1USP9XUCHL1
Mol-4239 SCHEMBL862020 1.00 STAT3 (0.77) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL15947782 0.88 KMT2A (0.61) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL15947779 0.88 KMT2A (0.61) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL841259 0.88 KMT2A (0.60) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL1573453 0.88 KMT2A (0.60) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL841782 0.88 KMT2A (0.60) STAT3KMT2AMEN1USP9XUCHL1
SCHEMBL841781 0.88 KMT2A (0.60) STAT3KMT2AMEN1USP9XUCHL1

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-20130129675-A1 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 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-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS VHL, PRKDC, POLR1C STAT3 902/4885KMT2A 508/4885MEN1 2918/4885
US-20130129675-A1 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION STAT3, STAT1, STAT5B STAT3 1/4885KMT2A 2412/4885MEN1 1520/4885

“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.