SCHEMBL341354

SCHEMBL341354

CC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 1.00
▸ ALDH1A1 P00352 11/20 0.69
▸ PKM P14618 1/20 0.67
▸ PRKDC P78527 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MAPK1 P28482 1/20 0.56
▸ CYP2C9 P11712 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SIRT6 Q8N6T7 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPC1 O15118 1/20 0.53

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
SCHEMBL940811 0.88 MAPT (0.78) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL340455 0.87 MAPT (0.78) MAPTALDH1A1SMN1; SMN2NPSR1MAPK1
SCHEMBL144859 0.86 MAPT (0.76) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL11736626 0.86 MAPT (0.76) MAPTALDH1A1SMN1; SMN2NPSR1MAPK1
SCHEMBL1232317 0.86 MAPT (0.75) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL5624466 0.86 SIRT6 (0.76) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL10743621 0.85 SIRT6 (0.74) MAPTALDH1A1MAPK1SIRT6
SCHEMBL19677556 0.83 MAPT (0.70) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL18036523 0.81 MAPT (0.75) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL7809558 0.81 MAPT (0.67) MAPTALDH1A1PKMSMN1; SMN2NPSR1

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 5 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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 — — US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 — — 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 MAPT 4760/4885ALDH1A1 1258/4885PKM 4523/4885

“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.

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