SCHEMBL13119985

SCHEMBL13119985

NC(=O)c1ncc(Br)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.51
SIRT6 Q8N6T7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NNMT P40261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
BACE1 P56817 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
CASP1 P29466 1/20 0.35
MEN1 O00255 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
POLB P06746 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
PARP1 P09874 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL362121 0.82 ALDH1A1 (0.47) PLAUSIRT6ALDH1A1KDM4EKMT2A
SCHEMBL29837373 0.82 ALDH1A1 (0.47) PLAUSIRT6ALDH1A1KDM4EKMT2A
SCHEMBL17224852 0.82 PLAU (0.44) PLAUSIRT6ALDH1A1KDM4EBACE1
SCHEMBL10002413 0.81 PARP1 (0.42) PLAUSIRT6ALDH1A1NNMTKDM4E
SCHEMBL16661085 0.81 PLAU (0.51) PLAUALDH1A1KDM4EKMT2AHTT
SCHEMBL18335071 0.81 PLAU (0.43) PLAUALDH1A1KDM4EBACE1KMT2A
SCHEMBL18422805 0.80 KDM4E (0.49) PLAUALDH1A1KDM4EBACE1KMT2A
SCHEMBL30143410 0.80 PLAU (0.48) PLAUSIRT6ALDH1A1NNMTBACE1
SCHEMBL2760820 0.80 PLAU (0.48) PLAUSIRT6ALDH1A1NNMTBACE1
SCHEMBL321782 0.78 HTT (0.42) PLAUALDH1A1NNMTKDM4EBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 PLAU 3384/4885SIRT6 3230/4885ALDH1A1 1941/4885

“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.