SCHEMBL1946307

SCHEMBL1946307

Nc1cc(=O)[nH]c(=O)n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 4/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
LMNA P02545 2/20 0.45
HCAR1 Q9BXC0 1/20 0.44
NTRK1 P04629 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL7083963 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL1945368 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL15766308 0.78 GAA (0.76) KMT2AGAAMEN1KDM4ETSHR
SCHEMBL13928862 0.78 MAPT (0.70) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL15558596 0.78 ALDH1A1 (0.70) ALDH1A1HPGDKMT2AL3MBTL1GAA
SCHEMBL11622065 0.78 MEN1 (0.56) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL1573850 0.78 TSHR (0.50) ALDH1A1HPGDKMT2AL3MBTL1GAA
SCHEMBL13800067 0.76 MAOA (0.44) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL31241378 0.75 ATM (0.47) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1
SCHEMBL1945403 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027161-A1 BACTERIAL STRAINS FOR TREATING DISEASE MICROBA IP PTY LTD (AU) 2026-01-29 US disclosed
US-9914703-B2 Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-03-13 US disclosed
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-01-18 US disclosed
EP-2445913-B1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCH (DE) 2014-04-30 EP disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
EP-1145716-B1 Therapeutic agent for the treatment of dermatitis NIPPON ZOKI PHARMACEUTICAL CO (JP) 2004-08-04 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
US-6440978-B2 A THERAPEUTICAL AGENT FOR DERMATITIS COMPRISES 7-AMINO-3-(HALO SUBSTITUTED OR UNSUBSTITUED BENZYL)-1,2,3-TETRAHYDRO-1-PHENYLPYRIDO(2,3-D)PYRIMIDIN-2,4-DIONE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2002-08-27 US disclosed
US-20010056097-A1 Therapeutic agent for dermatitis NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-12-27 US disclosed
EP-1145716-A2 Therapeutic agent for the treatment of dermatitis NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-10-17 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 (7 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-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885CYP3A4 1327/4885HPGD 899/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885CYP3A4 1327/4885HPGD 899/4885
US-20010056097-A1 Therapeutic agent for dermatitis CCL11, TSLP, HRH4 ALDH1A1 962/4885CYP3A4 3414/4885HPGD 269/4885
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS WNT1, WNT3, WNT3A ALDH1A1 1200/4885CYP3A4 775/4885HPGD 1894/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885CYP3A4 1981/4885HPGD 718/4885
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF PDXK, MAP4K2, MAP3K6 ALDH1A1 855/4885CYP3A4 279/4885HPGD 161/4885
US-20260027161-A1 BACTERIAL STRAINS FOR TREATING DISEASE VIP, SI, ALPI ALDH1A1 3590/4885CYP3A4 2993/4885HPGD 4182/4885

“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.