Sugi Predict

Sugi Predict / Compounds / SCHEMBL4898140

SCHEMBL4898140

SCHEMBL4898140

O=C1COc2ccccc2N1C(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ P2RX1 P51575 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ CBX7 O95931 2/20 0.39
▸ CDYL2 Q8N8U2 2/20 0.39
▸ CDYL Q9Y232 2/20 0.39
▸ CDY1; CDY1B Q9Y6F8 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL4901890 0.82 SLC22A12 (0.49) USP2TSHRALDH1A1KMT2AMAPT
SCHEMBL4893108 0.80 POLB (0.58) TSHRKDM4EMAPTLMNAL3MBTL1
SCHEMBL4901495 0.78 POLB (0.50) TSHRKDM4EALDH1A1NAAA
SCHEMBL4895457 0.72 LMNA (0.56) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL4895551 0.72 BRD4 (0.52) KDM4EALDH1A1LMNANAAAMRGPRX4
SCHEMBL4901372 0.72 SLC22A12 (0.67) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL4895480 0.72 AVPR2 (0.58) TSHRALDH1A1LMNA
SCHEMBL4898134 0.72 PDK1 (0.45) TSHRKDM4EMAPTLMNAL3MBTL1
SCHEMBL1457712 0.71 MEN1 (0.63) KDM4EKMT2AMEN1LMNAMRGPRX4
SCHEMBL4899486 0.71 GPBAR1 (0.48) KDM4ELMNAL3MBTL1NAAAMRGPRX4

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 USP2 1167/4885TSHR 4311/4885KDM4E 2953/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 USP2 639/4885TSHR 3246/4885KDM4E 3266/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 USP2 1076/4885TSHR 3482/4885KDM4E 2773/4885

“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.