SCHEMBL22348368

SCHEMBL22348368

COc1cc(-c2cccc(N)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.46
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.42
METAP2 P50579 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL22347532 0.84 TP53 (0.47) MAP4K4TSHRRECQLMEN1KMT2A
SCHEMBL5157111 0.81 RAB9A (0.58) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL1353918 0.78 MAP4K4 (0.54) MAP4K4TSHRRECQLMEN1KMT2A
SCHEMBL31341049 0.78 NPC1 (0.72) RECQLMEN1KMT2AHPGDALDH1A1
SCHEMBL22348509 0.75 NPC1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL22653460 0.71 NPC1 (0.54) MAP4K4RECQLMEN1KMT2AHPGD
SCHEMBL21876438 0.71 NPC1 (0.51) MAP4K4TSHRRECQLMEN1KMT2A
SCHEMBL30469304 0.70 NPC1 (0.49) MAP4K4TSHRRECQLMEN1KMT2A
SCHEMBL2627239 0.70 NPC1 (0.49) MAP4K4TSHRRECQLMEN1KMT2A
SCHEMBL4871951 0.69 NPC1 (0.45) MAP4K4TSHRRECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US disclosed
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 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 (3 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-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAP4K4 1551/4885TSHR 567/4885RECQL 2633/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 MAP4K4 1551/4885TSHR 567/4885RECQL 2633/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 MAP4K4 1551/4885TSHR 567/4885RECQL 2633/4885

“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.