SCHEMBL7039593

SCHEMBL7039593

COC(=O)Cc1ccccc1NC(=S)N(C)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ MASP2 O00187 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SNCA P37840 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL7039813 0.82 MASP2 (0.54) CFDMAPTKMT2AALDH1A1HPGD
SCHEMBL7035637 0.77 ALDH1A1 (0.46) CFDMAPTKMT2AALDH1A1HPGD
SCHEMBL7042835 0.76 CFD (0.42) CFDMAPTKMT2AKDM4EALDH1A1
SCHEMBL7039170 0.75 ABCC1 (0.43) CFDNPSR1MAPTKMT2AKDM4E
SCHEMBL7039712 0.75 CFD (0.41) CFDMAPTKMT2AALDH1A1MASP2
SCHEMBL7039814 0.72 ALDH1A1 (0.49) CFDMAPTKMT2AALDH1A1HPGD
SCHEMBL27479366 0.72 CFD (0.54) CFDNR1H4MAPTKDM4EALDH1A1
SCHEMBL14592349 0.72 TSHR (0.54) CFDKDM4EALDH1A1HPGDLMNA
SCHEMBL7035653 0.71 MASP2 (0.60) NR1H4MAPTMASP2ABCC1
SCHEMBL7041010 0.70 CFD (0.43) CFDMAPTKMT2AKDM4EALDH1A1

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
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 — — US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 — — EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CFD 1082/4885NR1H4 4271/4885NPSR1 4301/4885

“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