SCHEMBL4901890

SCHEMBL4901890

O=C1COc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.49
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
P2RX4 Q99571 2/20 0.45
CBX7 O95931 2/20 0.44
CDYL2 Q8N8U2 2/20 0.44
CDYL Q9Y232 2/20 0.44
CDY1; CDY1B Q9Y6F8 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4898140 0.82 USP2 (0.43) TSHRUSP2P2RX4CBX7CDYL2
SCHEMBL4900173 0.80 P2RX4 (0.68) SLC22A12CYP2C9ABCG2P2RX4
SCHEMBL4901855 0.76 POLB (0.70) SLC22A12CYP2C9ABCG2MAPTPOLB
SCHEMBL5227565 0.75 KMT2A (0.50) TSHRUSP2CYP2C9P2RX4CBX7
SCHEMBL4899011 0.74 POLB (0.60) SLC22A12TSHRUSP2CYP2C9ABCG2
SCHEMBL28265104 0.74 MEN1 (0.52) TSHRUSP2CYP2C9P2RX4CBX7
SCHEMBL4894293 0.73 MEN1 (0.72) SLC22A12CYP2C9ABCG2MEN1KMT2A
SCHEMBL28263925 0.73 TSHR (0.47) TSHRUSP2CYP2C9P2RX4CBX7
SCHEMBL6958446 0.72 KMT2A (0.53) TSHRCYP2C9CBX7CDYL2CDYL
SCHEMBL4900069 0.71 SLC22A12 (0.63) SLC22A12CYP2C9ABCG2POLBALDH1A1

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 446/4885TSHR 4311/4885USP2 1167/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885TSHR 3246/4885USP2 639/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885TSHR 3482/4885USP2 1076/4885

“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.