SCHEMBL23309609

SCHEMBL23309609

CC(NC(=O)c1cc(F)nc(F)c1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CNR1 P21554 1/20 0.49
▸ PDE2A O00408 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ USP36 Q9P275 1/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTGER4 P35408 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ TAS1R3 Q7RTX0 2/20 0.45
▸ TAS1R1 Q7RTX1 2/20 0.45

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
SCHEMBL23309646 0.81 ALDH1A1 (0.49) ALDH1A1CNR1PDE2AKMT2AMEN1
SCHEMBL1922928 0.77 SMN1; SMN2 (0.71) ALDH1A1NPC1KMT2AMEN1CYP1A2
SCHEMBL7676189 0.77 SMN1; SMN2 (0.71) ALDH1A1NPC1KMT2AMEN1CYP1A2
SCHEMBL23309675 0.76 MLYCD (0.47) ALDH1A1CYP1A2CYP2C19LMNAHPGD
SCHEMBL3024346 0.76 HDAC8 (0.57) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL2408988 0.76 HDAC8 (0.56) ALDH1A1NPC1KMT2AMEN1CYP1A2
SCHEMBL13229362 0.75 NPC1 (0.59) ALDH1A1NPC1KMT2AMEN1CYP1A2
SCHEMBL3034483 0.75 HDAC8 (0.56) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL5646644 0.75 GPR139 (0.53) ALDH1A1NPC1KMT2AMEN1CYP1A2
SCHEMBL7981064 0.74 SMN1; SMN2 (0.62) ALDH1A1PDE2AKMT2AMEN1CYP1A2

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-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 — — 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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL ALDH1A1 2033/4885CNR1 1971/4885PDE2A 2617/4885

“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.

Send feedback