SCHEMBL20042871

SCHEMBL20042871

O=C(O)c1ccc(C(F)F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
SRD5A2 P31213 1/20 0.47
TTR P02766 3/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SPR P35270 1/20 0.44
ALOX15 P16050 1/20 0.43
GRM1 Q13255 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL20042781 0.85 TSHR (0.59) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL29504835 0.85 TSHR (0.59) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL7598306 0.81 TSHR (0.59) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL20042775 0.79 ALDH1A1 (0.54) TSHRMAPTALDH1A1ALOX15KMT2A
SCHEMBL18285572 0.78 LMNA (0.50) TSHRTTRMAPTGRM1KMT2A
SCHEMBL25949214 0.78 ACE2 (0.49) TSHRTTRMAPTALDH1A1GRM1
SCHEMBL30211952 0.78 ACE2 (0.49) TSHRTTRMAPTALDH1A1GRM1
SCHEMBL12583708 0.78 LMNA (0.56) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL9185164 0.78 LMNA (0.56) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL17019953 0.77 GRM1 (0.64) TSHRSRD5A2TTRMAPTALDH1A1

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
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-03 US disclosed
WO-2022015624-A1 SUBSTITUTED DIHYDROPYRAZINEDIONES AS MODULATORS OF THE NMDA RECEPTOR SCHRÖDINGER, INC. (US) 2022-01-20 WO 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 (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-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TSHR 3584/4885SRD5A2 310/4885TTR 1763/4885

“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.