SCHEMBL22352575

SCHEMBL22352575

COC(=O)c1nc(-c2cccc(N)c2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL3919689 0.86 SMN1; SMN2 (0.57) TSHRRECQLNPC1RAB9AMAPT
SCHEMBL7088488 0.83 TSHR (0.59) TSHRRECQLRAB9AMAPTHDAC3
SCHEMBL2176868 0.83 RAB9A (0.53) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL22352682 0.80 MAOA (0.58) RECQLRAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3938751 0.78 FBP1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14368139 0.78 MEN1 (0.40) RECQLNPC1RAB9AMAPTALDH1A1
SCHEMBL6439408 0.76 MAPT (0.55) TSHRRECQLNPC1RAB9AMAPT
SCHEMBL15689011 0.76 ABL1 (0.74) TSHRRECQLNPC1RAB9AMAPT
SCHEMBL14368137 0.75 CYP3A4 (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31479971 0.74 ALDH1A1 (0.41) TSHRNPC1RAB9AMAPTALDH1A1

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-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US 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 (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-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TSHR 567/4885RECQL 2633/4885NPC1 198/4885

“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.