SCHEMBL9926545

SCHEMBL9926545

CNC(=O)c1cc(C)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
AKT1 P31749 1/20 0.43
MMP13 P45452 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC2 Q92769 1/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TPMT P51580 2/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39

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
SCHEMBL30518015 1.00 KDR (0.47) KDRALDH1A1HPGDAKT1MMP13
SCHEMBL3786661 0.87 HDAC8 (0.50) KDRALDH1A1HPGDHDAC8HDAC6
SCHEMBL1003995 0.87 TPMT (0.52) KDRALDH1A1HPGDHDAC8HDAC6
SCHEMBL1003295 0.85 TPMT (0.54) ALDH1A1HPGDMMP13HDAC8HDAC6
SCHEMBL15492141 0.85 HDAC8 (0.52) ALDH1A1HPGDMMP13HDAC8HDAC6
SCHEMBL13485819 0.84 HDAC6 (0.53) KDRAKT1KCNK3KCNK9HDAC8
SCHEMBL14060074 0.83 TPMT (0.48) KDRALDH1A1HPGDHDAC8HDAC6
Hydrochloric Acid SCHEMBL21438790 0.83 TPMT (0.52) ALDH1A1HPGDMMP13HDAC8HDAC6
SCHEMBL17809693 0.79 GRN (0.50) KDRHPGDGRNSORT1
SCHEMBL3487410 0.79 PLK1 (0.42) ALDH1A1HPGDHDAC8HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684108-A Method for catalyzing coupling reaction of aryl halide and carbon monoxide by using composite catalyst 浙江予睿化学科技有限公司 2025-03-25 CN disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 KDR 2373/4885ALDH1A1 4361/4885HPGD 2850/4885

“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.