SCHEMBL19782990

SCHEMBL19782990

CCOC(=O)C(Br)C(=O)c1ncccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5314380 0.78 GSK3B (0.41) MAPK1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL108857 0.78 BRD4 (0.63) BRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL29601272 0.78 GSK3B (0.58) CYP1A2MAPTSMN1; SMN2MEN1GAA
SCHEMBL8190351 0.78 GSK3B (0.58) CYP1A2MAPTSMN1; SMN2MEN1GAA
Bromide SCHEMBL29938709 0.77 GSK3B (0.57) CYP1A2MAPTSMN1; SMN2MEN1GAA
Bromide SCHEMBL15993360 0.77 GSK3B (0.57) CYP1A2MAPTSMN1; SMN2MEN1GAA
SCHEMBL10651810 0.76 CYP1A2 (0.45) BRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL405449 0.75 TSHR (0.50) SMN1; SMN2MEN1GAAKMT2ATDP1
SCHEMBL457581 0.75 MAPT (0.54) BRD4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8011853 0.74 KDM4E (0.41) MAPK1CYP1A2CYP3A4MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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 (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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA BRD4 3343/4885MAPK1 3418/4885CYP1A2 74/4885

“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.