SCHEMBL6101285

SCHEMBL6101285

Fc1cc2c(cc1Br)NCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
AR P10275 2/20 0.36
KDM1A O60341 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM1B Q8NB78 1/20 0.35
PARP10 Q53GL7 3/20 0.33
PARP1 P09874 2/20 0.33
P4HB P07237 1/20 0.33
PARP11 Q9NR21 1/20 0.33
S1PR1 P21453 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTR2A P28223 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
SCHEMBL23384713 0.92 ALDH1A1 (0.53) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL30727376 0.92 ALDH1A1 (0.53) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL550208 0.83 DRD2 (0.47) ALDH1A1MAPTDRD2DRD4AR
Hydrochloric Acid SCHEMBL30142473 0.81 DRD2 (0.45) ALDH1A1MAPTDRD2DRD4AR
Hydrochloric Acid SCHEMBL28923502 0.81 DRD2 (0.45) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL20563792 0.81 MAPT (0.42) ALDH1A1MAPTDRD2DRD4AR
Trifluoroacetic Acid SCHEMBL26985397 0.79 MAPT (0.46) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL7139279 0.77 CA2 (0.43) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL5827521 0.76 HTR2A (0.47) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL34460094 0.76 ALDH1A1 (0.49) ALDH1A1MAPTDRD2DRD4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. 2025-09-18 US disclosed
EP-4519251-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE Esperion Therapeutics, Inc. (US) 2025-03-12 EP disclosed
CN-119137107-A Macrocyclic inhibitors of ATP citrate lyase 艾斯柏伦治疗公司 2024-12-13 CN disclosed
WO-2023215220-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2023-11-09 WO disclosed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 CN disclosed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-3632915-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2020-04-08 EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
CN-1141633-A 4-heterocyclic substituted quinazoline derivatives, process for their preparation and their use as anticancer agents PFIZER (US) 1997-01-29 CN disclosed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ALDH1A1 1727/4885MAPT 3833/4885DRD2 4662/4885
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ACLY, CS, ATP5ME ALDH1A1 792/4885MAPT 3473/4885DRD2 4879/4885

“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.