SCHEMBL31009397

SCHEMBL31009397

COc1ccc([N+](=O)[O-])cc1OC1CCC(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 5/20 0.46
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 2/20 0.45
MEN1 O00255 1/20 0.45
PTGES O14684 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 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
SCHEMBL1157335 0.84 CYP19A1 (0.61) HTTTDP1CYP19A1PTGS2SMN1; SMN2
SCHEMBL5704500 0.83 CYP19A1 (0.62) HTTTDP1CYP19A1PTGS2SMN1; SMN2
SCHEMBL28575021 0.80 HTT (0.50) HTTTDP1CYP19A1PTGS2SMN1; SMN2
SCHEMBL28575019 0.80 HTT (0.50) HTTTDP1CYP19A1PTGS2SMN1; SMN2
SCHEMBL31009412 0.79 TUBB4A (0.42) HTTTDP1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL31009396 0.79 TUBB4A (0.42) HTTTDP1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL29149508 0.79 TUBB4A (0.42) HTTTDP1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15540405 0.79 CYP19A1 (0.57) HTTTDP1CYP19A1PTGS2SMN1; SMN2
SCHEMBL24749768 0.78 PDE4A (0.43) HTTMAPTTSHR
SCHEMBL31694801 0.78 PDE4A (0.43) HTTMAPTTSHR

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
EP-4631573-A2 TEAD INHIBITORS Orion Corporation (FI) 2025-10-15 EP disclosed
EP-4323338-B1 TEAD INHIBITORS ORION CORP (FI) 2025-10-08 EP disclosed
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 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-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 HTT 3852/4885TDP1 948/4885CYP19A1 1749/4885

“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.