SCHEMBL418619

SCHEMBL418619

CNCc1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
CHRM2 P08172 13/20 0.59
BCHE P06276 5/20 0.59
ACHE P22303 5/20 0.59
CHRM4 P08173 5/20 0.59
CHRM5 P08912 5/20 0.59
CHRM1 P11229 5/20 0.59
CHRM3 P20309 5/20 0.59
GRIN1 Q05586 4/20 0.59
GRIN2A Q12879 4/20 0.59
RECQL P46063 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59

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 SCHEMBL7876474 0.98 MAPT (0.69) ALDH1A1MAPTGAASLC6A2SLC6A4
Acetonitrile SCHEMBL7423983 0.92 ALDH1A1 (0.58) ALDH1A1MAPTGAASLC6A2SLC6A4
SCHEMBL5695121 0.84 ALDH1A1 (0.79) ALDH1A1MAPTGAACHRM2BCHE
SCHEMBL22838152 0.83 ALDH1A1 (0.66) ALDH1A1MAPTGAACHRM2BCHE
SCHEMBL22910535 0.82 SLC6A4 (0.49) ALDH1A1MAPTGAASLC6A2SLC6A4
SCHEMBL29875218 0.82 ALDH1A1 (0.58) ALDH1A1MAPTGAASLC6A2SLC6A4
SCHEMBL680393 0.82 ALDH1A1 (0.58) ALDH1A1MAPTGAASLC6A2SLC6A4
SCHEMBL3296809 0.81 IDO1 (0.61) ALDH1A1MAPTGAACHRM2CHRM1
SCHEMBL19091168 0.81 ALDH1A1 (0.63) ALDH1A1MAPTGAACHRM2BCHE
SCHEMBL16572836 0.81 SLC6A4 (0.54) ALDH1A1MAPTGAASLC6A2SLC6A4

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 417 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP claimed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US claimed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP claimed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO claimed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-6605614-B2 Anti-hepatitis or anti-herpes BIOCHEM PHARMA INC. (CA) 2003-08-12 US claimed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed
JP-2002537396-A 2002-11-05 JP claimed
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity BIOCHEM PHARMA INC. 2002-07-25 US claimed
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US claimed
EP-1155017-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Shire Biochem Inc. (CA) 2001-11-21 EP claimed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP claimed
WO-2000050424-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BIOCHEM PHARMA INC. (CA) 2000-08-31 WO claimed
CN-1181069-A 5 -(4 -subst. -piperidinyl -1) -3 -aryl -pentanoic acid derivatives as tachykinin receptor antagonist ZENECA LTD (GB) 1998-05-06 CN claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B ALDH1A1 985/4885MAPT 4811/4885GAA 1578/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ ALDH1A1 4404/4885MAPT 1156/4885GAA 306/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A ALDH1A1 352/4885MAPT 2409/4885GAA 92/4885
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity HAVCR2, MAVS, NTPCR ALDH1A1 885/4885MAPT 4372/4885GAA 158/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B ALDH1A1 1005/4885MAPT 4808/4885GAA 1566/4885

“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.