SCHEMBL3178752

SCHEMBL3178752

CC(=N)c1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.63
PARP1 P09874 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 2/20 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
SCHEMBL749086 0.81 C1S (0.56) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL16962938 0.79 C1S (0.54) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL12599378 0.78 C1S (0.59) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL24406147 0.78 C1S (0.53) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL20118899 0.78 C1S (0.53) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL423581 0.77 C1S (1.00) C1SPARP1SMN1; SMN2KMT2A
SCHEMBL24934194 0.77 C1S (0.63) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL992992 0.77 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL3169 0.77 PARP1 (0.63) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL28879914 0.77 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed
EP-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS IV BASF SE (DE) 2021-11-03 EP disclosed
EP-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed
WO-2019046318-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
EP-2147914-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS Shionogi&Co., Ltd. (JP) 2010-01-27 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 US 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 (1 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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP C1S 3708/4885PARP1 751/4885L3MBTL1 3458/4885

“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.