SCHEMBL29525834

SCHEMBL29525834

Nc1cc(F)c(F)cc1NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.35
ALOX15 P16050 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
PIM1 P11309 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
CHEK1 O14757 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
MAP2K2 P36507 1/20 0.33
CDK8 P49336 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
SCHEMBL10175794 1.00 ROCK2 (0.46) ROCK2GAAMAPTKDM4EGLA
SCHEMBL30657517 0.92 GAA (0.46) ROCK2GAAMAPTKDM4EALOX15
SCHEMBL20349186 0.92 GAA (0.46) ROCK2GAAMAPTKDM4EALOX15
SCHEMBL24463483 0.85 ROCK2 (0.45) ROCK2GAAMAPTKDM4EGLA
SCHEMBL31702342 0.85 ROCK2 (0.39) ROCK2GAAMAPTKDM4EGLA
SCHEMBL20337719 0.85 ROCK2 (0.39) ROCK2GAAMAPTKDM4EGLA
SCHEMBL25335478 0.85 ROCK2 (0.42) ROCK2GAAMAPTKDM4EGLA
SCHEMBL31149474 0.85 ROCK2 (0.39) ROCK2GAAMAPTKDM4EGLA
SCHEMBL24463568 0.78 GAA (0.41) ROCK2GAAMAPTKDM4EALOX15
SCHEMBL20353506 0.78 ROCK2 (0.35) ROCK2GAAMAPTKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LTD (HK) 2026-04-09 US disclosed
US-12458642-B2 Metalloenzyme inhibitor compounds CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2025-11-04 US disclosed
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 EP disclosed
US-11919883-B2 Metalloenzyme inhibitor compounds JI XING PHARMACEUTICALS HONG KONG LIMITED (HK) 2024-03-05 US disclosed
EP-4311577-A2 METALLOENZYME INHIBITOR COMPOUNDS Ji Xing Pharmaceuticals Hong Kong Limited (HK) 2024-01-31 EP disclosed
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 EP disclosed
CN-114269383-A Metalloenzyme inhibitor compounds 菲斯生物制药公司 2022-04-01 CN 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-12458642-B2 Metalloenzyme inhibitor compounds CYP11B2, CYP11B1, HSD11B2 ROCK2 686/4885GAA 139/4885MAPT 2593/4885
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CPN1, TPP1, DPP4 ROCK2 3348/4885GAA 5/4885MAPT 2173/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ROCK2 3423/4885GAA 4/4885MAPT 2388/4885

“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.