SCHEMBL263489

SCHEMBL263489

Nc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.39
GAA P10253 5/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
PDE2A O00408 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 2/20 0.34
KDM4E B2RXH2 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPAS1 Q99814 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
USP2 O75604 2/20 0.32
APP P05067 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL30878054 1.00 MBOAT4 (0.39) MBOAT4GAATSHRPOLBGLA
SCHEMBL325072 0.84 GAA (0.36) MBOAT4GAATSHRPOLBGLA
SCHEMBL9367414 0.81 GAA (0.40) GAATSHRPOLBGLAPDE2A
SCHEMBL19381133 0.80 ALDH1A1 (0.35) GAATSHRPOLBMAPTALDH1A1
SCHEMBL30234869 0.79 TSHR (0.43) GAATSHRPOLBGLAPDE2A
SCHEMBL9224896 0.79 TSHR (0.43) GAATSHRPOLBGLAPDE2A
SCHEMBL5502229 0.79 ALDH1A1 (0.44) GAATSHRPOLBGLAPDE2A
SCHEMBL30397188 0.79 ALDH1A1 (0.44) GAATSHRPOLBGLAPDE2A
SCHEMBL398001 0.79 ALDH1A1 (0.44) GAATSHRPOLBGLAPDE2A
SCHEMBL945792 0.78 GAA (0.57) GAATSHRPOLBGLAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4601635-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2025-08-20 EP disclosed
US-20250127792-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-04-24 US disclosed
US-12186324-B2 Imidazopiperazine inhibitors of transcription activating proteins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-01-07 US disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
US-20240199546-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF HERCULES CAPITAL, INC., AS AGENT 2024-06-20 US disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024081748-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
EP-0880528-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-12-02 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed
WO-1997030055-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-08-21 WO disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
US-5296454-A Acetanilide herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-22 US disclosed
EP-0521365-A1 Acetanilides NIHON BAYER AGROCHEM K.K. (JP) 1993-01-07 EP 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-20250127792-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 MBOAT4 4099/4885GAA 3653/4885TSHR 2494/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A MBOAT4 4103/4885GAA 1075/4885TSHR 3668/4885
US-12186324-B2 Imidazopiperazine inhibitors of transcription activating proteins EP300, CREBBP, RBBP7 MBOAT4 4099/4885GAA 3653/4885TSHR 2494/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A MBOAT4 4103/4885GAA 1075/4885TSHR 3668/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 MBOAT4 2304/4885GAA 959/4885TSHR 3783/4885
US-20240199546-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF SLC6A19, SLC2A9, SLC6A3 MBOAT4 1656/4885GAA 249/4885TSHR 1225/4885

“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.