SCHEMBL6982576

SCHEMBL6982576

O=c1[nH]c2ccccc2c(=O)n1C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
ALDH1A1 P00352 6/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 3/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 2/20 0.53
ALOX12 P18054 2/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL30858360 0.92 ALDH1A1 (0.62) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6243579 0.92 ALDH1A1 (0.62) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL3960105 0.86 ALDH1A1 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL7008960 0.85 ALDH1A1 (0.52) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL791221 0.85 ALDH1A1 (0.75) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14096376 0.85 ALDH1A1 (0.75) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL13476544 0.83 ALDH1A1 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL13801259 0.82 SMN1; SMN2 (0.50) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL3146496 0.81 CHRM2 (0.83) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14410199 0.80 OPRM1 (0.56) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP disclosed
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
US-4854965-A SUBSTITUTED 2,4-DIOXO-AND 2,4-DITHIO-1,3-DIHYDROQUINAZOLINES; CONTROLLING BROAD-LEAFED WEEDS IN CEREAL CROPS MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1989-08-08 US disclosed
EP-0254049-A2 Herbicidal compositions MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1988-01-27 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 CHRM2 312/4885CHRM4 924/4885CHRM1 86/4885

“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.