SCHEMBL2039997

SCHEMBL2039997

Brc1cc(-c2ccccc2)c(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
ALOX5 P09917 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HSD17B10 Q99714 3/20 0.34
CYP2A6 P11509 2/20 0.34
HPGD P15428 2/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2B6 P20813 1/20 0.34
HSD17B1 P14061 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS1 P23219 2/20 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
SCHEMBL11522531 0.80 HSD17B1 (0.49) ALDH1A1MAPK1MAPTBACE1HPGD
SCHEMBL22299320 0.80 PTGS1 (0.49) ALDH1A1MAPK1MAPTBACE1ALOX5
SCHEMBL29139906 0.78 TDO2 (0.42) ALDH1A1MAPK1MAPTBACE1ALOX5
SCHEMBL20602279 0.78 ESR1 (0.46) HSD17B10HSD17B1
SCHEMBL2777753 0.78 PTGS2 (0.51) ALDH1A1MAPK1BACE1HSD17B10HPGD
SCHEMBL13049377 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1BACE1ALOX5
SCHEMBL14799846 0.78 GSTP1 (0.50) ALDH1A1MAPTALOX5HSD17B10CYP2A6
SCHEMBL17240318 0.77 GSK3B (0.30)
SCHEMBL10088516 0.75 CYP2A6 (0.44) ALDH1A1MAPK1L3MBTL1MAPTBACE1
SCHEMBL2836255 0.75 CYP2A6 (0.48) ALDH1A1MAPK1BACE1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118571524-A Conductive paste for touch screen and preparation method thereof 晶澜光电科技(江苏)有限公司 2024-08-30 CN claimed
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2026-02-05 US disclosed
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-10-31 US disclosed
CN-118571524-A Conductive paste for touch screen and preparation method thereof 晶澜光电科技(江苏)有限公司 2024-08-30 CN disclosed
CN-118165002-A Polycyclic compounds and methods of use thereof 桑诺维恩药品公司 2024-06-11 CN disclosed
EP-3252057-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
EP-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
US-5756653-A REACTING A REDUCING AGENT ON A ZINC SALT BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-05-26 US disclosed
WO-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 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 (5 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-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALDH1A1 919/4885MAPK1 3847/4885L3MBTL1 3735/4885
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALDH1A1 919/4885MAPK1 3847/4885L3MBTL1 3735/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT ALDH1A1 919/4885MAPK1 3847/4885L3MBTL1 3735/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALDH1A1 919/4885MAPK1 3847/4885L3MBTL1 3735/4885
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SLC6A3, SLC6A11, SLC6A13 ALDH1A1 1362/4885MAPK1 2402/4885L3MBTL1 4557/4885

“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.