SCHEMBL4973608

SCHEMBL4973608

ClCCCNc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
MAPT P10636 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.50
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 1/20 0.38
KCNH3 Q9ULD8 2/20 0.38
CTSD P07339 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL4768820 0.98 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1MAOAMAOB
Naphthalene SCHEMBL11159579 0.94 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL7856023 0.93 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL8654318 0.91 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL8677435 0.91 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL8968882 0.91 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL6138610 0.85 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1MAOAMAOB
SCHEMBL4970157 0.85 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL2065279 0.85 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL7950874 0.84 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1HDAC3HDAC1

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-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US disclosed
US-7205311-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED 2007-04-17 US disclosed
US-20050070568-A1 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-03-31 US disclosed
EP-1474397-A1 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS Cancer Research Technology Limited (GB) 2004-11-10 EP disclosed
WO-2003059885-A1 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-07-24 WO disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP 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-20050070568-A1 Therapeutic acridone and acridine compounds CCNK, TERT, CCNA1 ALDH1A1 99/4885MAPT 3941/4885L3MBTL1 502/4885
US-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 ALDH1A1 2289/4885MAPT 4306/4885L3MBTL1 3260/4885

“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.