SCHEMBL5797576

SCHEMBL5797576

Nc1c(C(=O)O)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 4/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
GALR3 O60755 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NR2F2 P24468 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL6071885 0.85 ALDH1A1 (0.45) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL6071549 0.85 SMN1; SMN2 (0.64) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL4639498 0.84 ALDH1A1 (0.44) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL4637929 0.84 HPGD (0.45) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL5797687 0.81 CASP1 (0.43) HPGDSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL5797474 0.81 ALDH1A1 (0.42) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL5797506 0.81 AKR1C3 (0.45) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL5795924 0.80 CASP1 (0.42) HPGDSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL5796504 0.80 ALDH1A1 (0.44) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL4638473 0.80 ALDH1A1 (0.65) HPGDSMN1; SMN2ALDH1A1GAATSHR

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 HPGD 1291/4885SMN1; SMN2 2953/4885TP53 3863/4885

“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.