SCHEMBL22299813

SCHEMBL22299813

COC(=O)c1nn(C)c2c1COc1ccc(F)cc1-2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ NR1H4 Q96RI1 11/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PIK3R5 Q8WYR1 1/20 0.42
▸ PIK3R3 Q92569 1/20 0.42

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
SCHEMBL2549040 0.88 TP53 (0.55) MAPTNR1H4KDM4EALDH1A1TP53
SCHEMBL2173369 0.87 NR1H4 (0.53) MAPTNR1H4POLBPIK3CDPIK3R2
SCHEMBL22299180 0.86 NR1H4 (0.57) MAPTNR1H4TP53POLB
SCHEMBL2189673 0.79 TP53 (0.55) MAPTNR1H4KDM4EALDH1A1TP53
SCHEMBL2546279 0.78 MAPT (0.55) MAPTNR1H4KDM4EALDH1A1TP53
SCHEMBL2171176 0.78 MAPT (0.46) MAPTNR1H4TP53POLBPIK3CD
SCHEMBL21574265 0.76 THRB (0.43) MAPTNR1H4KDM4EALDH1A1GAA
SCHEMBL21574194 0.76 THRB (0.43) MAPTNR1H4KDM4EALDH1A1GAA
SCHEMBL19810692 0.76 TP53 (0.55) MAPTNR1H4TP53POLBPIK3CD
SCHEMBL19810671 0.76 NR1H4 (0.48) MAPTNR1H4KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 — — US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 — — 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 (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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885NR1H4 1/4885KDM4E 3954/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885NR1H4 1/4885KDM4E 3954/4885

“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.

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