SCHEMBL3144534

SCHEMBL3144534

[c]1nc2cc3ccccc3cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
RPS6KB2 Q9UBS0 4/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
GLA P06280 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL3484 0.73
SCHEMBL448177 0.73
SCHEMBL6067699 0.73 NPC1 (0.39) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL5535847 0.72 PIK3CA (0.50) ALDH1A1PI4KAPI4KBL3MBTL1
SCHEMBL5541045 0.72 PIK3CA (0.42) ALDH1A1PI4KAPI4KBL3MBTL1
SCHEMBL4428663 0.68 EGFR (0.40)
SCHEMBL10782006 0.68 NPC1 (0.36) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL533470 0.67 CYP1A2 (0.49) NQO2ALDH1A1MAPTGLAKDM4E
SCHEMBL209055 0.67 SMN1; SMN2 (0.41) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL206753 0.67 GFER (0.44) ALDH1A1MAPTHPGDTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP claimed
CN-101263107-A Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LAB (US) 2008-09-10 CN claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
CN-1314891-A Synthesis of benzo (F) quinolinones LILLY CO ELI (US) 2001-09-26 CN claimed
US-6111110-A Synthesis of benzo[f]quinolinones ELI LILLY AND COMPANY (US) 2000-08-29 US claimed
CN-1241998-A Synthesis of benzo (F) quinolinones LILLY CO ELI (US) 2000-01-19 CN claimed
EP-0969003-A2 Process for the preparation of benzo[f]quinolinone derivatives and intermediates ELI LILLY AND COMPANY (US) 2000-01-05 EP claimed
EP-0839807-A1 Synthesis of benzo(f)quinolinones ELI LILLY AND COMPANY (US) 1998-05-06 EP claimed
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 NQO2 3600/4885RPS6KB2 4160/4885ESR1 3764/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 NQO2 2725/4885RPS6KB2 3642/4885ESR1 4141/4885

“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.