SCHEMBL2098677

SCHEMBL2098677

CC(C)(C)c1cc(Br)cc(Cl)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 2/20 0.33
NMT1 P30419 1/20 0.32

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
SCHEMBL29470926 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1SMN1; SMN2TP53CYP2C9
SCHEMBL31571902 0.79 ADRB2 (0.42) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL31571901 0.79 ADRB2 (0.42) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL1000064 0.79 ADRB2 (0.42) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL8248030 0.78 MAPT (0.39) CYP3A4ALDH1A1SMN1; SMN2HIF1ACA1
SCHEMBL16132370 0.77 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2TP53CYP2C9CYP2C19
SCHEMBL1004957 0.77 CYP3A4 (0.58) CYP3A4ALDH1A1TP53CA1CA2
SCHEMBL19100799 0.75 CA1 (0.33) ALDH1A1SMN1; SMN2CA1CA2CA9
SCHEMBL2098932 0.75 TP53 (0.39) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
Hydrochloric Acid SCHEMBL8367686 0.74 CYP3A4 (0.55) CYP3A4ALDH1A1GRIN1GRIN2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12610732-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2026-04-21 US disclosed
US-12497420-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2025-12-16 US disclosed
EP-4358685-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2025-12-03 EP disclosed
EP-4650415-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2025-11-19 EP disclosed
EP-4358685-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2024-04-24 EP disclosed
EP-3978583-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2024-04-10 EP disclosed
US-20240083929-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-03-14 US disclosed
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 US disclosed
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 US disclosed
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 US disclosed
EP-3978583-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2022-04-06 EP disclosed
US-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2022-02-10 US disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 WO disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 WO disclosed
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 US disclosed
WO-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO disclosed
EP-2146951-B1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 US disclosed
EP-2146951-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2010-01-27 EP disclosed
WO-2008152260-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 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 (6 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-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 CYP3A4 2771/4885ALDH1A1 285/4885SMN1; SMN2 216/4885
US-12610732-B2 Organic electroluminescent materials and devices ICOSLG, SSB, SART3 CYP3A4 1908/4885ALDH1A1 1592/4885SMN1; SMN2 2251/4885
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CYP3A4 411/4885ALDH1A1 263/4885SMN1; SMN2 4063/4885
US-12497420-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OR10J3 CYP3A4 492/4885ALDH1A1 443/4885SMN1; SMN2 3307/4885
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG CYP3A4 1525/4885ALDH1A1 199/4885SMN1; SMN2 4367/4885
US-20240083929-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CYP3A4 411/4885ALDH1A1 263/4885SMN1; SMN2 4063/4885

“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.