SCHEMBL23502487

SCHEMBL23502487

CN(C)c1cccc2nc(C(F)(F)F)c(C(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.42
▸ ACP1 P24666 2/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ IDH2 P48735 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31

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
SCHEMBL20047554 0.80 GAA (0.38) GAACYP2C19MEN1KMT2ACYP3A4
SCHEMBL20047580 0.80 GAA (0.38) GAACYP2C19MEN1KMT2ACYP3A4
SCHEMBL20047489 0.76 GAA (0.36) GAACYP2C19KMT2ACYP3A4KDM4E
SCHEMBL20047490 0.74 NR1H2 (0.35) GAACYP2C19KDM4EMAPTCYP1A2
SCHEMBL28661274 0.73 MAPT (0.52) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL30753419 0.72 MAPT (0.42) GAACYP2C19MEN1KMT2ACYP3A4
SCHEMBL23502449 0.70 NR1H2 (0.33) GAAKDM4EMAPT
SCHEMBL30753418 0.70 KDM4E (0.42) GAACYP2C19MEN1KMT2ACYP3A4
SCHEMBL20989986 0.70 CA2 (0.40) GAAKMT2AMAPTALDH1A1
SCHEMBL23502488 0.69 KDM4E (0.36) GAAKDM4EMAPTCYP1A2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — 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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GAA 614/4885ACP1 3585/4885CYP2C19 624/4885

“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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