SCHEMBL90396

SCHEMBL90396

CN1CCC(CNC2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
KDM1A O60341 3/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NAMPT P43490 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL25105479 0.92 NCF1 (0.39) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL19098593 0.91 NCF1 (0.35) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL2616311 0.89 NCF1 (0.48) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL25105138 0.87 NCF1 (0.35) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL25105137 0.87 NCF1 (0.35) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL25105161 0.87 NCF1 (0.35) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL19782071 0.86 KDM1A (0.33) NCF1KDM1AMAOB
SCHEMBL8225962 0.81 KDM1A (0.45) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL8442726 0.80 KDM1A (0.44) NCF1KDM1AMAOBMEN1KMT2A
SCHEMBL14472580 0.80 MEN1 (0.36) NCF1KDM1AMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
EP-2130827-B1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-02-01 EP disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
EP-2130827-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-09 EP disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 NCF1 1645/4885KDM1A 2627/4885MAOB 1457/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 NCF1 3085/4885KDM1A 3172/4885MAOB 1600/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 NCF1 849/4885KDM1A 1879/4885MAOB 229/4885

“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.