SCHEMBL499797

SCHEMBL499797

Cc1cc(Cl)cc(C(=O)NCC2CCO2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.40
SMO Q99835 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RORC P51449 1/20 0.37
TSHR P16473 1/20 0.36
KLKB1 P03952 4/20 0.36
MALT1 Q9UDY8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL4155986 0.89 SMO (0.40) NTRK1SMOALDH1A1TSHRMALT1
SCHEMBL951313 0.86 KLKB1 (0.38) ALDH1A1KLKB1MALT1MAPT
SCHEMBL10253642 0.86 CRACR2A (0.37) KLKB1OPRL1
SCHEMBL12528985 0.86 MALT1 (0.42) KLKB1MALT1
SCHEMBL782368 0.85 CARM1 (0.39) ALDH1A1KLKB1MALT1MAPT
SCHEMBL2293991 0.85 P2RX7 (0.35) NTRK1MALT1OPRL1
SCHEMBL1172990 0.85 NTRK1 (0.39) NTRK1KLKB1
SCHEMBL3679335 0.84 PDE4B (0.37) ALDH1A1KLKB1MALT1MAPT
SCHEMBL17205424 0.84 PDE4B (0.37) NTRK1ALDH1A1KLKB1MALT1MAPT
SCHEMBL13209133 0.84 PDE4B (0.41) ALDH1A1KLKB1MALT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 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-20080275065-A1 Novel Insecticides DDT, ACHE, CYP4F11 NTRK1 2247/4885SMO 4237/4885ALDH1A1 119/4885

“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.