SCHEMBL2996274

SCHEMBL2996274

CCCC(CCC)N1CCc2c(C(=O)O)cc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DHPS P49366 1/20 0.35
AKR1B1 P15121 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CLTC Q00610 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3652884 0.91 HTT (0.38) SLC6A2SLC6A4SLC6A3HTTTP53
SCHEMBL3652879 0.91 HTT (0.38) SLC6A2SLC6A4SLC6A3HTTTP53
SCHEMBL2993872 0.88 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL3006179 0.82 ITGB3 (0.38) ALDH1A1ITGB3ITGA2BDHPSKDM4E
SCHEMBL3002199 0.82 ITGB3 (0.38) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL3653143 0.81 ITGB3 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3006096 0.79 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL2996231 0.76 DHPS (0.42) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL2997716 0.76 ITGB3 (0.36) ITGB3ITGA2BDHPS
SCHEMBL2998670 0.74 DHPS (0.40) ITGB3ITGA2BDHPSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 SLC6A2 1789/4885SLC6A4 1266/4885SLC6A3 2223/4885

“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.