SCHEMBL4328828

SCHEMBL4328828

COc1cc(C=C(C#N)C#N)cc(Br)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 4/20 0.74
MAPT P10636 4/20 0.74
KDM4E B2RXH2 4/20 0.74
HPGD P15428 3/20 0.74
RGS12 O14924 2/20 0.74
USP2 O75604 2/20 0.74
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
ALOX15 P16050 2/20 0.74
NFKB1 P19838 2/20 0.74
BLM P54132 2/20 0.74
GNAI1 P63096 2/20 0.74
PMP22 Q01453 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HIF1A Q16665 2/20 0.74
HSD17B10 Q99714 2/20 0.74

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
SCHEMBL8745026 0.89 EGFR (0.87) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL3459584 0.85 EGFR (1.00) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL29457559 0.85 EGFR (1.00) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4330242 0.84 EGFR (0.73) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6214676 0.81 EGFR (0.74) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL27446833 0.80 PTP4A3 (0.70) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL10186365 0.79 EGFR (0.70) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4326355 0.78 EGFR (0.70) EGFRMEN1KMT2AALDH1A1MAPT
Water SCHEMBL10457877 0.77 GAA (0.62) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL27446825 0.76 PTP4A1 (0.81) EGFRMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
EP-1509515-A4 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2006-07-05 EP disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 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 (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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 EGFR 2432/4885MEN1 4060/4885KMT2A 2675/4885
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 EGFR 4261/4885MEN1 4764/4885KMT2A 4205/4885

“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.