SCHEMBL20043049

SCHEMBL20043049

COC(=O)c1ccc(Cl)c(OC(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TSHR P16473 1/20 0.45
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 5/20 0.43
GLA P06280 1/20 0.43
POLB P06746 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
SCHEMBL30827504 1.00 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL25212586 0.88 MAPT (0.52) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL30116888 0.83 NOTUM (0.58) ALDH1A1L3MBTL1MAPTNPC1CA12
SCHEMBL22954276 0.83 MAPT (0.64) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL22980803 0.83 NOTUM (0.48) ALDH1A1L3MBTL1MAPTSMN1; SMN2CYP1A2
SCHEMBL3738587 0.83 MAPT (0.64) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30740897 0.83 CA12 (0.59) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL2531132 0.83 NOTUM (0.58) ALDH1A1L3MBTL1MAPTNPC1CA12
SCHEMBL20042905 0.82 TSHR (0.53) ALDH1A1L3MBTL1MAPTRAB9ACA12
SCHEMBL30003856 0.82 TSHR (0.53) ALDH1A1L3MBTL1MAPTRAB9ACA12

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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 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 (2 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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 ALDH1A1 2000/4885L3MBTL1 4523/4885MAPT 2596/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 ALDH1A1 2000/4885L3MBTL1 4523/4885MAPT 2596/4885

“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.