SCHEMBL3678030

SCHEMBL3678030

O=C(CCc1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
HTT P42858 2/20 0.77
RAB9A P51151 2/20 0.70
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.66
HDAC1 Q13547 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
TSHR P16473 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
NPC1 O15118 1/20 0.63

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
SCHEMBL5902414 0.93 MAPT (0.77) MAPTHTTRAB9ALMNAGAA
SCHEMBL15350108 0.91 HDAC1 (0.73) MAPTHTTRAB9ALMNAHDAC1
SCHEMBL2356413 0.91 HDAC1 (0.72) MAPTHTTRAB9ALMNAGAA
SCHEMBL3859340 0.88 MAPT (0.60) MAPTHTTRAB9ALMNAGAA
SCHEMBL3061430 0.88 MAPT (1.00) MAPTHTTRAB9ALMNAGAA
Hydrochloric Acid SCHEMBL27689202 0.86 MAPT (0.96) MAPTHTTRAB9ALMNAGAA
SCHEMBL10953379 0.86 HDAC1 (0.62) MAPTHTTRAB9AGAAHDAC1
SCHEMBL13356363 0.85 MAPT (0.80) MAPTHTTRAB9ALMNAGAA
SCHEMBL11705109 0.85 TRPV1 (0.82) MAPTHTTRAB9ALMNAGAA
SCHEMBL27671467 0.85 MAPT (0.86) MAPTHTTRAB9ALMNAGAA

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
CN-110066254-B Preparation method of isothiazole-3-ketone compound 温州大学 2021-03-19 CN disclosed
EP-1898910-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP disclosed
WO-2014011663-A1 INHIBITORS OF BACTERIAL DIGUANYLATE CYCLASE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-01-16 WO disclosed
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 US disclosed
CN-101252928-B Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
EP-2244721-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO Ý1,2-C¨QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-11-03 EP disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 US disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 WO disclosed
CN-101252928-A Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2008-08-27 CN 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 (2 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-20100204270-A1 Quinoline Derivatives as Antibacterial Agents NQO2, NDUFB7, NQO1 MAPT 334/4885HTT 3818/4885RAB9A 988/4885
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB7, NDUFA7 MAPT 379/4885HTT 3775/4885RAB9A 109/4885

“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.