SCHEMBL4898144

SCHEMBL4898144

S=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1C=COC(C2=CC=CCC2)=C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4893116 0.90 KDM4E (0.37) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL4892205 0.81 MEN1 (0.30) MEN1KMT2A
SCHEMBL4891026 0.79 TAOK1 (0.38) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL4902300 0.76 KMT2A (0.33) KMT2A
SCHEMBL4892168 0.76 NAAA (0.44) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL4895543 0.75 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL4900143 0.72 KDM4E (0.37) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL4901859 0.69 SLC22A12 (0.32)
SCHEMBL4900046 0.69 HSD11B1 (0.34)
SCHEMBL5012584 0.68 HSD11B1 (0.37)

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 KDM4E 2953/4885NPC1 145/4885CASP3 1260/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 KDM4E 3266/4885NPC1 489/4885CASP3 1974/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 KDM4E 2773/4885NPC1 924/4885CASP3 2119/4885

“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.