SCHEMBL7208213

SCHEMBL7208213

O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
ALDH1A1 P00352 14/20 0.76
KDM4E B2RXH2 13/20 0.76
GAA P10253 5/20 0.76
KMT2A Q03164 4/20 0.76
MEN1 O00255 2/20 0.76
NPSR1 Q6W5P4 4/20 0.53
HPGD P15428 5/20 0.52
S1PR2 O95136 1/20 0.47
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5621395 0.86 CYP2C9 (1.00) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3882476 0.82 CYP2C9 (0.82) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3880856 0.79 CYP2C9 (0.69) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL28794517 0.76 CYP2C9 (0.64) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL16429648 0.73 KDM4E (0.59) LMNAALDH1A1KDM4EGAAKMT2A
SCHEMBL13791149 0.71 CYP2C9 (0.65) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4129933 0.71 CYP2C9 (0.58) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL24358070 0.69 LMNA (0.53) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL13791801 0.69 CYP2C9 (0.56) LMNACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL27852359 0.69 CYP2C9 (0.55) LMNACYP2C9CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 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-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB LMNA 1843/4885CYP2C9 1282/4885CYP2C19 1206/4885

“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.