SCHEMBL4901588

SCHEMBL4901588

CC1Cc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 1.00
SPR P35270 1/20 0.65
MCL1 Q07820 1/20 0.59
ALDH1A1 P00352 5/20 0.58
NOTUM Q6P988 1/20 0.57
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
PKM P14618 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
ALOX15 P16050 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
SCHEMBL4901372 0.81 SLC22A12 (0.67) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL4894293 0.79 MEN1 (0.72) SLC22A12SPRALDH1A1LMNASMN1; SMN2
SCHEMBL11385674 0.77 SLC22A12 (0.61) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL8057268 0.75 NOTUM (0.73) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL10167044 0.74 NOTUM (1.00) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL5523654 0.74 NOTUM (1.00) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL20462830 0.74 NOTUM (0.75) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL2586534 0.74 NOTUM (1.00) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL34462938 0.73 ALDH1A1 (0.71) SLC22A12SPRMCL1ALDH1A1NOTUM
SCHEMBL1865732 0.72 NOTUM (0.73) SLC22A12SPRMCL1ALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US claimed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
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
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 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
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US 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 SLC22A12 446/4885SPR 1382/4885MCL1 3045/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885SPR 868/4885MCL1 3312/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885SPR 139/4885MCL1 3517/4885

“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.