SCHEMBL2999591

SCHEMBL2999591

Cc1ccc(Cl)c(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 3/20 0.36
PTGS2 P35354 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
AKR1B10 O60218 1/20 0.33
ABCB11 O95342 1/20 0.33
TTR P02766 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
FABP2 P12104 1/20 0.33
RXRA P19793 1/20 0.33
TBXA2R P21731 1/20 0.33
NR4A1 P22736 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
AKR1C3 P42330 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL29702059 1.00 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL4448674 0.81 CYP3A4 (0.37) ALDH1A1LMNACYP3A4CES1S1PR1
SCHEMBL19830027 0.79 CYP3A4 (0.36) ALDH1A1LMNACYP3A4MAPK1CES1
SCHEMBL4448667 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL21459542 0.79 NCEH1 (0.37) ALDH1A1CYP3A4MEN1KMT2ACES1
SCHEMBL10875349 0.77 CYP3A4 (0.41) LMNACYP3A4MAPK1CES1CYP1A2
SCHEMBL6582691 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4MEN1MAPK1KMT2A
SCHEMBL7635249 0.75 P2RX7 (0.33) CYP3A4PTGS2PTGS1
SCHEMBL180306 0.75 CYP3A4 (0.46) ALDH1A1LMNACYP3A4PTGS2MEN1
SCHEMBL29370015 0.75 CYP3A4 (0.46) ALDH1A1LMNACYP3A4PTGS2MEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621270-A Fused aromatic compound and application thereof in electroluminescent device 清华大学 2022-06-14 CN disclosed
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 CN disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 US disclosed
EP-3288936-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 EP disclosed
WO-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 WO disclosed
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1608633-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. Hoffmann-La Roche AG (CH) 2005-12-28 EP disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085411-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (7 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885LMNA 2542/4885CYP3A4 500/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885LMNA 2542/4885CYP3A4 500/4885
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators GRIN1, GABRE, GRIN3A ALDH1A1 986/4885LMNA 4234/4885CYP3A4 1094/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 118/4885LMNA 1603/4885CYP3A4 436/4885
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 ALDH1A1 395/4885LMNA 1842/4885CYP3A4 246/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A ALDH1A1 986/4885LMNA 4234/4885CYP3A4 1094/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E ALDH1A1 321/4885LMNA 1382/4885CYP3A4 264/4885

“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.