SCHEMBL1098239

SCHEMBL1098239

[O]CCCN1CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.65
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL9399 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL9128 0.97
SCHEMBL9077 0.92 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL4490456 0.92 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL3427016 0.92
SCHEMBL5857530 0.90 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1649755 0.90 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL378107 0.89 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5256004 0.86 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL2092461 0.86 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO claimed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US claimed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US claimed
US-20090036485-A1 Quinoline derivatives JUNG FREDERIC HENRI 2009-02-05 US claimed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP claimed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP claimed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS HRH3 228/4885CYP1A2 483/4885MAPK1 602/4885
US-20090036485-A1 Quinoline derivatives AQP3, PGF, AQP1 HRH3 149/4885CYP1A2 529/4885MAPK1 1445/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS HRH3 373/4885CYP1A2 519/4885MAPK1 877/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 HRH3 169/4885CYP1A2 546/4885MAPK1 500/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 HRH3 269/4885CYP1A2 369/4885MAPK1 675/4885

“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.