SCHEMBL4902129

SCHEMBL4902129

Nc1ccc2c(c1)CCN2C(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC22A12 Q96S37 2/20 0.48
LMNA P02545 5/20 0.48
TP53 P04637 5/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
THRB P10828 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4898923 0.84 DRD4 (0.49) POLBSLC22A12LMNATP53PDK1
SCHEMBL4895457 0.83 LMNA (0.56) POLBLMNAMAPTNPC1RAB9A
SCHEMBL4895480 0.82 AVPR2 (0.58) SLC22A12LMNAALDH1A1HPGD
SCHEMBL4901643 0.80 SLC22A12 (0.73) SLC22A12PDK1PDK2PDK3PDK4
SCHEMBL15712623 0.79 HPGD (0.68) SLC22A12LMNATP53PDK1PDK2
SCHEMBL4895551 0.78 BRD4 (0.52) SLC22A12LMNAKDM4EALDH1A1HPGD
SCHEMBL4899486 0.78 GPBAR1 (0.48) SLC22A12LMNAKDM4ENPC1RAB9A
SCHEMBL4898058 0.77 AVPR1A (0.44) SLC22A12MAPTKDM4ENPC1RAB9A
SCHEMBL4900137 0.76 GAA (0.47) POLBLMNATP53THRBMAPT
SCHEMBL4893108 0.76 POLB (0.58) POLBLMNATP53MAPTKDM4E

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 POLB 4604/4885SLC22A12 446/4885LMNA 2263/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885SLC22A12 260/4885LMNA 3579/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885SLC22A12 371/4885LMNA 4195/4885

“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.