SCHEMBL2990489

SCHEMBL2990489

O=C1N=C(Nc2cc(NC(=O)C3CCC3)ccc2Cl)SC1=Cc1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.46
GLA P06280 2/20 0.46
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SHMT2 P34897 2/20 0.40
EGFR P00533 3/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL2990487 1.00 GBA1 (0.46) GBA1GLAALDH1A1HPGDHSD17B10
SCHEMBL2993692 0.85 ALDH1A1 (0.46) GBA1GLAALDH1A1HPGDHSD17B10
SCHEMBL2993695 0.85 ALDH1A1 (0.46) GBA1GLAALDH1A1HPGDHSD17B10
SCHEMBL2988902 0.84 EGFR (0.40) EGFRNPC1RAB9AKMT2A
SCHEMBL2988900 0.84 EGFR (0.40) EGFRNPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL4586199 0.83 GBA1 (0.39) GBA1GLAALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL4586182 0.83 GBA1 (0.39) GBA1GLAALDH1A1HPGDHSD17B10
SCHEMBL2993517 0.82 EGFR (0.40) ALDH1A1HPGDKDM4EMAPTEGFR
SCHEMBL2993521 0.82 EGFR (0.40) ALDH1A1HPGDKDM4EMAPTEGFR
SCHEMBL4586191 0.81 ALDH1A1 (0.37) GBA1GLAALDH1A1HPGDHSD17B10

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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 (2 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 GBA1 487/4885GLA 381/4885ALDH1A1 4089/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 GBA1 606/4885GLA 510/4885ALDH1A1 2461/4885

“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.