SCHEMBL66184

SCHEMBL66184

Cc1[c]sc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.40
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 6/20 0.33
CASP3 P42574 4/20 0.33
G6PD P11413 2/20 0.33
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 1/20 0.32
PMM2 O15305 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MPI P34949 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL146620 0.74 TNKS2 (0.39) ALDH1A1MAPTKDM4EHPGDALOX12
SCHEMBL317826 0.73 GPR3 (0.42) GPR3ALDH1A1MAPTCASP3G6PD
SCHEMBL5541424 0.73 BCL2L1 (0.36) ALDH1A1CYP1A2MAPTKDM4ENPC1
SCHEMBL66254 0.71 GPR3 (0.40) GPR3ALDH1A1CYP1A2MAPTCASP3
SCHEMBL65944 0.71 GPR3 (0.40) GPR3ALDH1A1MAPTCASP3G6PD
SCHEMBL767077 0.71 GPR3 (0.40) GPR3ALDH1A1CYP1A2MAPTCASP3
SCHEMBL10470919 0.71 GPR3 (0.36) GPR3MAPTCASP3G6PDKDM4E
SCHEMBL7435655 0.71 GPR3 (0.36) GPR3ALDH1A1MAPTCASP3G6PD
SCHEMBL3527744 0.71 ALDH1A1 (0.39) GPR3ALDH1A1CYP1A2MAPTG6PD
SCHEMBL694832 0.71 CYP2A6 (0.41) ALDH1A1MAPTKDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN claimed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP claimed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US claimed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US claimed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP claimed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO claimed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US claimed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US claimed
WO-2011043519-A2 SULFONAMIDE DERIVATIVES AS SEROTONIN RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-04-14 WO claimed
WO-2001023887-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
US-6211240-B1 INSECTICIDES NOVARTIS CORPORATION 2001-04-03 US claimed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP claimed
EP-0651737-B1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA GEIGY AG (CH) 1998-07-29 EP claimed
EP-0835242-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES Novartis AG (CH) 1998-04-15 EP claimed
EP-0777645-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-06-11 EP claimed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 WO claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 WO claimed
EP-0651737-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1995-05-10 EP claimed
WO-1994026700-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-11-24 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 (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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS GPR3 2393/4885ALDH1A1 1658/4885CYP1A2 941/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS GPR3 2393/4885ALDH1A1 1658/4885CYP1A2 941/4885

“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.