SCHEMBL5565498

SCHEMBL5565498

OB(O)Oc1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.44
AOC3 Q16853 2/20 0.44
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
DAO P14920 2/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DDO Q99489 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL30960885 1.00 FLT3 (0.44) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL5850730 0.78 FLT3 (0.48) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL22747633 0.77 FLT3 (0.41) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL8161285 0.77 FLT3 (0.36) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL7325746 0.77 AOC3 (0.52) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL29079881 0.75 DAO (0.49) KDM4EMAPTHPGDDAOALDH1A1
SCHEMBL29079873 0.75 DAO (0.49) MAPTDAOCYP2C9
SCHEMBL10923717 0.74 AOC3 (0.48) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL2125162 0.74 AOC3 (0.48) FLT3AOC3KDM4EMAPTHPGD
SCHEMBL4288136 0.74 AOC3 (0.48) FLT3AOC3KDM4EMAPTHPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117979966-A Treatment of cancer using SOS1 inhibitors and RAS inhibitors 锐新医药公司 2024-05-03 CN disclosed
CN-117683049-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2024-03-12 CN disclosed
CN-117597354-A Method for inhibiting RAS 综合医院公司 2024-02-23 CN disclosed
CN-116457358-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2023-07-18 CN disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
CN-115894606-A RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115873067-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed
CN-114867735-A RAS inhibitors 锐新医药公司 2022-08-05 CN disclosed
CN-114786777-A RAS inhibitors 锐新医药公司 2022-07-22 CN disclosed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO disclosed
EP-1054914-A1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND Basell Polyolefine GmbH (DE) 2000-11-29 EP disclosed
WO-2000035973-A1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND WHICH CONTAINS BORON TARGOR GMBH (DE) 2000-06-22 WO 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-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 FLT3 725/4885AOC3 4486/4885KDM4E 2383/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 FLT3 725/4885AOC3 4486/4885KDM4E 2383/4885

“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.