SCHEMBL340455

SCHEMBL340455

CC(=O)c1cc(N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.78
ALDH1A1 P00352 7/20 0.63
HPGD P15428 2/20 0.62
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.59
SIRT6 Q8N6T7 2/20 0.59
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.57
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL11736626 0.99 MAPT (0.76) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL10743621 0.89 SIRT6 (0.74) MAPTALDH1A1L3MBTL1SIRT6MAPK1
SCHEMBL341354 0.87 MAPT (1.00) MAPTALDH1A1HPGDCYP2C19LMNA
SCHEMBL27249081 0.85 LMNA (0.64) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL40110 0.85 HPGD (0.62) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL20509684 0.85 SIRT6 (0.81) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL25493925 0.84 HPGD (0.61) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3763530 0.84 LMNA (0.62) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL44878 0.83 SIRT6 (0.79) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL27957504 0.81 MAPT (0.58) MAPTALDH1A1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 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 (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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 MAPT 4760/4885ALDH1A1 1258/4885HPGD 1841/4885

“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.