Sugi Predict

Sugi Predict / Compounds / SCHEMBL1973757

SCHEMBL1973757

SCHEMBL1973757

O=C(NCc1ccc(Cl)cc1Cl)c1cn(C2CC2)c2c(Cl)c(N3CCC(C(=O)NC4CCCCC4)CC3)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ ACKR3 P25106 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC22A2 O15244 1/20 0.39
▸ PTGES O14684 2/20 0.38
▸ P2RX7 Q99572 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
SCHEMBL1973758 0.91 EPHX2 (0.45) ALDH1A1EPHX2ACKR3MEN1LMNA
SCHEMBL12427407 0.89 ALDH1A1 (0.53) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1972816 0.86 ALDH1A1 (0.45) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12427384 0.85 ALDH1A1 (0.47) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1006767 0.84 ALDH1A1 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12917487 0.83 ALDH1A1 (0.47) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL968075 0.82 ALDH1A1 (0.45) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12917489 0.82 ALDH1A1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12427383 0.82 ALDH1A1 (0.47) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12917485 0.82 ALDH1A1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 — — US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 — — US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 — — US disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 — — EP disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 — — EP disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 — — US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 — — US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 — — US disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 — — WO 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 (1 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A ALDH1A1 3228/4885POLB 77/4885CHRM2 3219/4885

“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.