SCHEMBL5865742

SCHEMBL5865742

O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)N2C(=S)N1c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.40
DDAH1 O94760 1/20 0.39
ELANE P08246 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
ESR2 Q92731 1/20 0.35
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5865739 1.00 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL6212655 1.00 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865743 1.00 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL4037553 0.88 MAPT (0.45) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL4044762 0.88 MAPT (0.45) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL4044767 0.88 MAPT (0.45) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL14033291 0.76 AR (0.53) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL7246754 0.76 AR (0.53) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL13964571 0.73 AR (0.42) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL3187767 0.72 TSHR (0.62) MAPTALDH1A1PKMHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 MAPT 4504/4885ALDH1A1 4518/4885PKM 2859/4885

“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.