SCHEMBL5516360

SCHEMBL5516360

CC(=O)Nc1cccc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HDAC1 Q13547 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
CASP3 P42574 1/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL463597 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHDAC1HSD17B10HDAC3
SCHEMBL29904721 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHDAC1HSD17B10HDAC3
SCHEMBL7455097 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHDAC1KDM4EGAA
SCHEMBL6003499 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHDAC1KDM4EGAA
SCHEMBL5285258 0.82 ALDH1A1 (0.55) ALDH1A1HPGDHDAC1KDM4EGAA
SCHEMBL6206535 0.82 GAA (0.55) ALDH1A1HDAC1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL11503558 0.82 HDAC1 (0.59) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL5647589 0.81 HDAC1 (0.49) ALDH1A1HPGDHDAC1KDM4EGAA
SCHEMBL11315901 0.81 RXFP1 (0.54) ALDH1A1HPGDHDAC1KDM4EGAA
SCHEMBL3117631 0.81 ALDH1A1 (0.48) ALDH1A1HPGDHDAC1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 WO disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
EP-0780444-B1 Process to manufacture polycyclic compounds BAYER AG (DE) 2001-09-05 EP disclosed
EP-1118640-A1 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 2001-07-25 EP disclosed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 EP disclosed
US-5955614-A Bridged perinones/quinophthalones BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0827986-A2 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 1998-03-11 EP disclosed
EP-0780444-A2 Process to manufacture polycyclic compounds BAYER AG (DE) 1997-06-25 EP disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (4 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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885HPGD 280/4885HDAC1 2057/4885
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 ALDH1A1 1759/4885HPGD 667/4885HDAC1 597/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885HPGD 280/4885HDAC1 2057/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 ALDH1A1 1201/4885HPGD 331/4885HDAC1 197/4885

“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.