SCHEMBL338574

SCHEMBL338574

CC(=O)c1cc(N(C)C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KLKB1 P03952 1/20 0.39
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
APAF1 O14727 1/20 0.38
SLC16A3 O15427 1/20 0.37

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
SCHEMBL297278 0.85 KDM4E (0.57) ALDH1A1MAPTHPGDMAPK1KDM4E
SCHEMBL7675158 0.85 IKBKB (0.49) ALDH1A1MAPTHPGDMAPK1KDM4E
SCHEMBL10737973 0.85 KLKB1 (0.42) ALDH1A1MAPTHPGDMAPK1KDM4E
Hydrochloric Acid SCHEMBL3016561 0.83 KMT2A (0.58) ALDH1A1MAPTHPGDKDM4ENPC1
Hydrochloric Acid SCHEMBL1323656 0.83 KMT2A (0.58) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL17774972 0.83 MAP4K1 (0.44) ALDH1A1MAPTHPGDMAPK1HDAC1
SCHEMBL9041110 0.80 HSP90AB1 (0.40) ALDH1A1MAPTHPGDMAPK1KDM4E
SCHEMBL1129609 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMAPK1KDM4E
SCHEMBL30966778 0.80 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMAPK1KDM4E
SCHEMBL25412059 0.79 HPGD (0.61) ALDH1A1MAPTHPGDMAPK1NPC1

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 16 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
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 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
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed
US-4656267-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-04-07 US disclosed
US-4555571-A Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 US disclosed
EP-0138491-A2 Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 EP disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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 ALDH1A1 1258/4885MAPT 4760/4885HPGD 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.