SCHEMBL4514959

SCHEMBL4514959

O=c1c2ccc(F)cc2sc2cc(F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
BCKDK O14874 1/20 0.49
MPI P34949 4/20 0.46
PHOSPHO1 Q8TCT1 3/20 0.43
G6PD P11413 2/20 0.43
ATM Q13315 1/20 0.42
MIF P14174 3/20 0.41
KAT2B Q92831 1/20 0.41
DAO P14920 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
PMM2 O15305 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31344216 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11574705 0.92 KDM4E (0.47) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL31344125 0.90 KDM4E (0.54) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11574612 0.90 KDM4E (0.54) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11158837 0.84 MPI (0.46) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL4732338 0.84 KDM4E (0.66) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11158985 0.82 G6PD (0.40) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11152570 0.80 MAPT (0.39) ALDH1A1LMNAMAPTPOLBBCKDK
SCHEMBL11165497 0.80 NPC1 (0.68) ALDH1A1MAPTMPIPHOSPHO1MIF
SCHEMBL4732252 0.80 KDM4E (0.39) ALDH1A1LMNAMAPTPOLBBCKDK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 ALDH1A1 2206/4885LMNA 2606/4885MAPT 3496/4885

“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.