SCHEMBL5090668

SCHEMBL5090668

N#Cc1cccc(C[Zn])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.46
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ENPP2 Q13822 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.44
GSK3B P49841 1/20 0.43
DAO P14920 1/20 0.43
IDH1 O75874 1/20 0.43
FFAR1 O14842 1/20 0.43

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
Bromide SCHEMBL1840562 0.98 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2153847 0.84 HRH3 (0.59) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2154019 0.84 GLA (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL580840 0.80 LOXL2 (0.61) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL92972 0.80 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL8348137 0.80 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL126485 0.80 CYP2A6 (0.56) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL126484 0.80 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
Water SCHEMBL5709133 0.80 LOXL2 (0.61) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL3063453 0.80 ENPP2 (0.53) GLACYP19A1CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023198195-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS (SHANGHAI) CO., LTD. (CN) 2023-10-19 WO disclosed
CN-102762208-A Pyrazolopyrimidines and related heterocycles as ck2 inhibitors CYLENE PHARMACEUTICALS INC 2012-10-31 CN disclosed
US-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2008-01-24 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-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE RHOT2, ROCK2, ROCK1 GLA 2136/4885CYP19A1 3019/4885CYP11B1 705/4885

“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.