SCHEMBL3006544

SCHEMBL3006544

O=C1CCCCc2ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 1/20 0.53
PBRM1 Q86U86 1/20 0.50
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
CYP2A6 P11509 1/20 0.48
PRKCI P41743 1/20 0.47
S100A4 P26447 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B1 P14061 1/20 0.42
METAP1 P53582 1/20 0.42
TYMS P04818 2/20 0.41
TDP2 O95551 1/20 0.41
PARP11 Q9NR21 1/20 0.41

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
SCHEMBL24753297 1.00 PARP10 (0.53) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL355820 0.96 MAOA (0.53) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL29483386 0.96 MAOA (0.53) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL16230083 0.88 TDP1 (0.63) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL29804236 0.88 PBRM1 (0.64) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL27286 0.88 PBRM1 (0.64) PARP10TDP1L3MBTL1PARP1PBRM1
SCHEMBL29521431 0.84 MAOA (0.59) PARP10MAOAMAOBCYP2A6PRKCI
SCHEMBL2065611 0.84 MAOA (0.59) PARP10MAOAMAOBCYP2A6PRKCI
SCHEMBL570706 0.84 MAOA (0.59) PARP10MAOAMAOBCYP2A6PRKCI
SCHEMBL5145478 0.80 PBRM1 (0.78) PBRM1MAOAMAOBCYP2A6PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746064-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACUTE BRAIN INJURY UNIV COPENHAGEN (DK) 2025-04-16 EP disclosed
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY OTAGO INNOVATION LIMITED (NZ) 2024-11-28 US disclosed
US-12077495-B2 Compounds for the treatment of acute brain injury Københavns Universitet (DK) 2024-09-03 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
WO-2022218311-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF APPICINE THERAPEUTICS (HK) LIMITED (CN) 2022-10-20 WO disclosed
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY UNIVERSITY OF OTAGO (NZ) 2021-04-29 US disclosed
EP-2704571-B1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
EP-2704571-B1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
US-5753655-A PROGESTINS OR ANTIPROGESTINS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-19 US disclosed
WO-1997017332-A1 1-ARYLSULPHONYL, ARYL(THIO)CARBONYL PYRIDAZINO DERIVATIVES AND METHODS OF PREPARATION ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 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 (4 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-12077495-B2 Compounds for the treatment of acute brain injury F2R, F2RL3, ARG2 PARP10 593/4885TDP1 3895/4885L3MBTL1 3126/4885
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 PARP10 1868/4885TDP1 3955/4885L3MBTL1 2022/4885
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 PARP10 702/4885TDP1 3992/4885L3MBTL1 3229/4885
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 PARP10 702/4885TDP1 3992/4885L3MBTL1 3229/4885

“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.