SCHEMBL4130277

SCHEMBL4130277

CCOC(=O)C/C(=N\c1ccc(C(=O)OCC)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ NOS3 P29474 2/20 0.51
▸ NOS1 P29475 2/20 0.51
▸ NOS2 P35228 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PRSS1 P07477 1/20 0.49
▸ ACR P10323 1/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL4124314 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1GAANOS3
SCHEMBL16386126 0.80 MEN1 (0.57) SMN1; SMN2RAB9ANPC1GAANOS3
SCHEMBL5472458 0.80 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1GAANOS3
SCHEMBL9644601 0.78 RAB9A (0.68) SMN1; SMN2RAB9ANPC1GAATSHR
SCHEMBL9644606 0.78 RAB9A (0.68) SMN1; SMN2RAB9ANPC1GAATSHR
Ethyl Benzoate SCHEMBL5690059 0.78 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1GAATSHR
Hydrochloric Acid SCHEMBL9645292 0.77 RAB9A (0.67) SMN1; SMN2RAB9ANPC1GAATSHR
Hydrochloric Acid SCHEMBL9645282 0.77 RAB9A (0.67) SMN1; SMN2RAB9ANPC1GAATSHR
Ethyl Benzoate SCHEMBL10906112 0.77 LMNA (0.66) SMN1; SMN2RAB9ANPC1GAATSHR
Ethyl Benzoate SCHEMBL25388294 0.77 LMNA (0.70) SMN1; SMN2RAB9ANPC1GAATSHR

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 SMN1; SMN2 2019/4885RAB9A 893/4885NPC1 149/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 SMN1; SMN2 2019/4885RAB9A 893/4885NPC1 149/4885

“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.

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