SCHEMBL13241

SCHEMBL13241

NNc1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 7/20 0.53
GAA P10253 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADRA2A P08913 1/20 0.49

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 SCHEMBL20820057 0.98 CYP1A2 (0.53) CYP1A2CYP2C19NPSR1MAPTGAA
SCHEMBL2479413 0.87 SMN1; SMN2 (0.59) NPSR1MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL1881837 0.85 SMN1; SMN2 (0.58) MAPTGAANPC1RAB9AMEN1
SCHEMBL24777901 0.82 ADRA2A (0.61) CYP1A2CYP2C19NPSR1MAPTGAA
SCHEMBL1147541 0.78 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1MAPTGAA
SCHEMBL11724375 0.78 PRKCI (0.51) MAPTNPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL3761409 0.77 CYP1A2 (0.58) CYP1A2CYP2C19NPSR1MAPTGAA
Hydrochloric Acid SCHEMBL31105738 0.76 CA12 (0.50) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1008711 0.76 MAPT (0.55) CYP1A2CYP2C19NPSR1MAPTGAA
SCHEMBL1184757 0.75 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 CN disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-4060550-A Novel n'-acylated phenyl-hydrazine and -hydrazone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-29 US disclosed
US-3974145-A Novel N'-acylated phenyl-hydrazine and hydrozone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 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 (3 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-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 CYP1A2 121/4885CYP2C19 309/4885NPSR1 164/4885
US-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A CYP1A2 87/4885CYP2C19 77/4885NPSR1 694/4885
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES PDE3A, PDE10A, PDE5A CYP1A2 59/4885CYP2C19 36/4885NPSR1 1097/4885

“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.