SCHEMBL9872012

SCHEMBL9872012

CCC[N]Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
CA4 P22748 1/20 0.39
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL5902338 0.81 CA4 (0.42) LTA4HCA4TSHRKCNA3CHRNB2
SCHEMBL9487849 0.74 LTA4H (0.55) LTA4HTSHRMAPTALOX12
SCHEMBL4762887 0.70 TRPA1 (0.41) LTA4HTSHRKCNA3KMT2A
SCHEMBL17986297 0.68 LTA4H (0.37) LTA4HCA4TSHRKCNA3CHRNB2
SCHEMBL17986296 0.68 LTA4H (0.37) LTA4HCA4TSHRKCNA3CHRNB2
Diphenylether SCHEMBL23093711 0.67 LTA4H (0.71) LTA4HCA4TSHRMAPTALOX12
SCHEMBL3897634 0.67
SCHEMBL6752046 0.67 L3MBTL1 (0.45) LTA4HCA4TSHRKCNA3CHRNB2
SCHEMBL6752042 0.67 L3MBTL1 (0.45) LTA4HCA4TSHRKCNA3CHRNB2
SCHEMBL17986235 0.67 LTA4H (0.38) LTA4HCA4TSHRKCNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
WO-2020021021-A1 ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-30 WO disclosed
WO-2020021021-A1 ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-30 WO disclosed
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO disclosed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US disclosed
US-5064962-A DIAMINOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0384314-A2 Diaminothiophenes BASF Aktiengesellschaft (DE) 1990-08-29 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-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B LTA4H 3447/4885CA4 4013/4885TSHR 4360/4885

“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.