SCHEMBL1712290

SCHEMBL1712290

Fc1cc2nn(-c3ccc(Cl)cc3)c(Cl)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
MIF P14174 1/20 0.41
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RPA1 P27694 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 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
SCHEMBL1093069 0.84 SRC (0.43) MIFLMNAPTGS1PTGS2POLB
SCHEMBL1093738 0.82 LMNA (0.47) ESR2MIFLMNAPTGS1PTGS2
SCHEMBL1093495 0.81 ESR2 (0.51) ESR2LMNAPTGS1PTGS2POLB
SCHEMBL1712409 0.74 CHRNA7 (0.41) MEN1KMT2AATMRAB9ASMN1; SMN2
SCHEMBL1094058 0.74 ESR2 (0.75) ESR2LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1093355 0.73 ADORA3 (0.44) SMN1; SMN2MAPTTP53
SCHEMBL13436362 0.72 ESR2 (0.67) ESR2MIFPOLBMEN1KMT2A
SCHEMBL1712288 0.72 NR1H4 (0.39)
SCHEMBL26632940 0.70 LMNA (0.45) ESR2LMNAPTGS1PTGS2MEN1
SCHEMBL9108281 0.70 ESR2 (0.44) ESR2MIFLMNAPTGS1PTGS2

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
EP-2344459-B1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES HOFFMANN LA ROCHE (CH) 2013-12-25 EP disclosed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
EP-2344459-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010034649-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 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-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, ABCB11, FXR1 ESR2 748/4885MIF 1273/4885LMNA 4860/4885

“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.