SCHEMBL5083151

SCHEMBL5083151

COOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.84
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
BACE1 P56817 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL3930340 0.91 CASR (1.00) CASRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL312818 0.91 CASR (1.00) CASRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL311858 0.91 CASR (1.00) CASRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3921348 0.87 CASR (0.80) CASRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3926738 0.87 CASR (0.79) CASRSMN1; SMN2KMT2A
SCHEMBL3932069 0.85 CASR (0.74) CASRSMN1; SMN2KMT2AMEN1
SCHEMBL3926029 0.83 CASR (0.74) CASRSMN1; SMN2KMT2AMEN1
SCHEMBL3920473 0.83 CASR (0.74) CASRSMN1; SMN2KMT2AMEN1AKR1C3
SCHEMBL3922401 0.82 CASR (0.76) CASRSMN1; SMN2KMT2AMEN1
SCHEMBL3923082 0.82 CASR (1.00) CASRKMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027052-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASE INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2008-01-31 US claimed
US-20080027052-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASE INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2008-01-31 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-20080027052-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASE PKD2, PKD1, REN CASR 14/4885SMN1; SMN2 4423/4885KMT2A 2941/4885

“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.