SCHEMBL70178

SCHEMBL70178

Cc1sc2nc(Cn3cc(CO)c(C(F)(F)F)n3)[nH]c(=O)c2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.37
USP2 O75604 2/20 0.37
PKM P14618 2/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TGM2 P21980 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL70473 0.87 RXFP1 (0.59) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL84505 0.78 RXFP1 (0.62) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL69730 0.77 HTR1A (0.40) ALDH1A1
SCHEMBL71309 0.72 RXFP1 (0.79) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL70462 0.70 HTR1A (0.41) ALDH1A1SMN1; SMN2HTTKMT2ARAB9A
SCHEMBL2369050 0.68 ALDH1A1 (0.74) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8189689 0.67 ALDH1A1 (0.70) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15435583 0.66 HTR1A (0.37) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL8203415 0.65 ALDH1A1 (0.66) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL71355 0.63 GAA (0.42) ALDH1A1SMN1; SMN2KMT2ARAB9AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
WO-2009062930-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-05-22 WO disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 US disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 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-20090131455-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIK5, GRIN1 RXFP1 1588/4885ALDH1A1 398/4885LMNA 4225/4885

“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.