SCHEMBL25977944

SCHEMBL25977944

O=C(CCOc1c(Cl)cccc1Cl)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
THRB P10828 1/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2D6 P10635 2/20 0.52
PLAU P00749 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL8465571 0.86 KMT2A (0.59) CYP1A2CYP3A4CYP2C9CYP2C19THRB
SCHEMBL9710367 0.84 KMT2A (0.62) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL9780958 0.79 KMT2A (0.67) THRBKMT2AMEN1LMNAPLAU
SCHEMBL3342586 0.74 L3MBTL1 (0.80) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL19501795 0.74 CYP1A2 (0.88) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3469024 0.74 CYP3A4 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL9780586 0.74 KMT2A (0.65) CYP3A4KMT2AMEN1RAB9AL3MBTL1
SCHEMBL10631666 0.74 KMT2A (0.64) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5902886 0.73 MAPT (0.62) CYP1A2CYP3A4RAB9ATP53MAPT
SCHEMBL11085038 0.72 MEN1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THRB

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-20230234911-A1 METHOD FOR SYNTHESIZING DICLOFENAC SODIUM FUDAN UNIVERSITY (CN) 2023-07-27 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-20230234911-A1 METHOD FOR SYNTHESIZING DICLOFENAC SODIUM SULT2A1, CRYAA, AADAC CYP1A2 37/4885CYP3A4 92/4885CYP2C9 31/4885

“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.