SCHEMBL144455

SCHEMBL144455

COc1ccc2cc(C)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2A6 P11509 1/20 0.47
PDK1 Q15118 1/20 0.46
BACE1 P56817 1/20 0.46
MAPT P10636 5/20 0.45
TSHR P16473 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PSMB8 P28062 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL21338387 0.85 DYRK1A (0.45) CA2MAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL144533 0.84 BACE1 (0.65) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL29239834 0.82 CA2 (0.57) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8694638 0.80 CA2 (0.56) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL13885724 0.79 ALDH1A1 (0.51) CA2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL19756627 0.79 CHRNA7 (0.40) CA2MAPTPOLBALDH1A1KDM4E
SCHEMBL5542989 0.78 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL12675254 0.78 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL1107212 0.78 BACE1 (0.73) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8602480 0.78 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed
WO-2018118838-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2018-06-28 WO disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
EP-2896397-B1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2017-09-06 EP disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 WO disclosed
WO-2003106462-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 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 (5 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CA2 309/4885CYP1A2 3639/4885CYP3A4 4688/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CA2 1646/4885CYP1A2 1188/4885CYP3A4 453/4885
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME CYC1, CRY1, C1S CA2 355/4885CYP1A2 45/4885CYP3A4 488/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CA2 309/4885CYP1A2 3639/4885CYP3A4 4688/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP CA2 2125/4885CYP1A2 133/4885CYP3A4 46/4885

“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.