SCHEMBL498040

SCHEMBL498040

COC(=O)Cc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.56
CHRNA7 P36544 1/20 0.56
CHRNA4 P43681 1/20 0.56
NR4A2 P43354 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2A6 P11509 1/20 0.44
CDK2 P24941 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
EGFR P00533 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL29506986 1.00 CHRNB2 (0.56) CHRNB2CHRNA7CHRNA4NR4A2NPC1
SCHEMBL29444458 0.89 MTNR1A (0.60) NR4A2PKMMTNR1AMTNR1BKMT2A
SCHEMBL2081979 0.89 MTNR1A (0.60) NR4A2PKMMTNR1AMTNR1BKMT2A
SCHEMBL28445347 0.86 CHRNB2 (0.60) CHRNB2CHRNA7CHRNA4NR4A2NPC1
SCHEMBL4261621 0.86 PKM (0.67) CHRNB2CHRNA7CHRNA4PKMMTNR1A
SCHEMBL4473657 0.84 HTR2C (0.54) NPC1PKMMTNR1AMTNR1BKMT2A
SCHEMBL14564356 0.84 NR4A2 (0.58) NR4A2NPC1PKMMTNR1AMTNR1B
SCHEMBL28836424 0.83 GPR84 (0.58) NPC1PKMMTNR1AMTNR1BKMT2A
SCHEMBL841091 0.83 NR4A2 (0.59) NR4A2NPC1PKMMTNR1AMTNR1B
SCHEMBL30049244 0.83 NR4A2 (0.59) NR4A2NPC1PKMMTNR1AMTNR1B

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
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
CN-116249554-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-06-09 CN disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (3 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CHRNB2 1742/4885CHRNA7 1275/4885CHRNA4 1597/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB CHRNB2 4867/4885CHRNA7 4795/4885CHRNA4 4852/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 CHRNB2 3182/4885CHRNA7 3432/4885CHRNA4 3767/4885

“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.