Sugi Predict

Sugi Predict / Compounds / SCHEMBL4895455

SCHEMBL4895455

SCHEMBL4895455

CC(C)(C)[Si](C)(C)Oc1cccc2c1OCCN2C(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ GRM5 P41594 3/20 0.39
▸ ELANE P08246 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 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
SCHEMBL4893108 0.79 POLB (0.58) NAAAKDM4ENOTUMPOLBRAB9A
SCHEMBL4895541 0.76 NAAA (0.50) NAAAKDM4EGRM5POLBNPC1
SCHEMBL4895551 0.74 BRD4 (0.52) NAAAKDM4ENOTUMGRM5SMN1; SMN2
SCHEMBL4901495 0.74 POLB (0.50) NAAAKDM4ENOTUMPOLBALDH1A1
SCHEMBL4899486 0.73 GPBAR1 (0.48) NAAAKDM4ENPC1RAB9AMRGPRX4
SCHEMBL4898960 0.72 NAAA (0.48) NAAAKDM4EGRM5POLBALDH1A1
SCHEMBL4898058 0.70 AVPR1A (0.44) NAAAKDM4EGRM5NPC1RAB9A
SCHEMBL4895457 0.70 LMNA (0.56) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4900278 0.70 KDM4E (0.43) NAAAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4900137 0.70 GAA (0.47) KDM4ENOTUMPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 — — US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 — — US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 — — EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 — — 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 NAAA 1624/4885KDM4E 2953/4885NOTUM 462/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NAAA 357/4885KDM4E 3266/4885NOTUM 1009/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 NAAA 471/4885KDM4E 2773/4885NOTUM 661/4885

“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.