SCHEMBL7035643

SCHEMBL7035643

Cn1c(F)[c]c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ F12 P00748 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ PSMB8 P28062 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KIF11 P52732 1/20 0.31

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
SCHEMBL700437 0.76 GPR3 (0.41) GPR3F12MAPTATMKDM4E
SCHEMBL7036048 0.74 SMN1; SMN2 (0.41) GPR3F12MAPTATMCA12
SCHEMBL2704346 0.71 KMT2A (0.40) GPR3KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL7838631 0.71 GPR3 (0.37) GPR3MAPTKDM4ECA12CA9
SCHEMBL2115649 0.67 CYP19A1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL7299415 0.67 EGFR (0.41) GPR3MAPTKDM4EALDH1A1BRD4
SCHEMBL4014784 0.67 ALDH1A1 (0.35) GPR3MAPTATMKDM4EALDH1A1
SCHEMBL695274 0.64 ALDH1A1 (0.41) MAPTKDM4EALDH1A1NPC1ERAP1
SCHEMBL193935 0.64 GPR3 (0.37) GPR3MAPTKDM4ECA12CA9
SCHEMBL9312817 0.63 CA12 (0.47) GPR3MAPTKDM4ECA12CA9

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 GPR3 3566/4885F12 1787/4885MAPT 4723/4885

“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.

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