SCHEMBL5828625

SCHEMBL5828625

Fc1ccc2c[c]cc(F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ AGXT P21549 2/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL455834 0.73 HPRT1 (0.39) CYP1A2CYP2A6KDM4EALDH1A1MEN1
SCHEMBL20356015 0.72 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1CA3CA6
SCHEMBL1392866 0.71 — —
SCHEMBL30377849 0.70 CYP1A2 (0.52) CYP1A2CYP2A6KDM4EALDH1A1CYP19A1
SCHEMBL1392607 0.69 — —
SCHEMBL1458869 0.68 CYP2A6 (0.52) CYP1A2CYP2A6KDM4EALDH1A1CA3
SCHEMBL1393105 0.67 — —
SCHEMBL1392208 0.67 — —
SCHEMBL208641 0.67 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1CYP19A1CA3
SCHEMBL208001 0.67 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7025971-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2006-04-11 — — US disclosed
US-6962791-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2005-11-08 — — US disclosed
US-6872542-B1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria SIGA PHARMACEUTICALS, INC. (US) 2005-03-29 — — US disclosed
EP-0730601-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2004-07-14 — — EP disclosed
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HULTGREN SCOTT (US) 2003-12-04 — — US disclosed
US-20030198992-A1 By interacting with periplasmic molecular chaperones so the assemlbly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished; used in drug design HULTGREN SCOTT (US) 2003-10-23 — — US disclosed
US-6596504-B2 Preventing, inhibiting or enhancing binding between at least one type of pilus subunit and at least one type of periplasmic molecular chaperone in the pilus-forming bacteria for therapy or prophylaxis of diseases WASHINGTON UNIVERSITY 2003-07-22 — — US disclosed
US-6548265-B2 Preventing, inhibiting or enhancing binding between pilus subunits and periplasmic molecular chaperone WASHINGTON UNIVERSITY 2003-04-15 — — US disclosed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 — — US disclosed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 — — US disclosed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 — — US disclosed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 — — US disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 — — US disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 — — US disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 — — EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS — 1995-08-10 — — WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 — — 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 (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-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885CYP2A6 1809/4885KDM4E 4847/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885CYP2A6 1809/4885KDM4E 4847/4885
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HSP90B1, HSPBP1, HSPB1 CYP1A2 3379/4885CYP2A6 1982/4885KDM4E 4839/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885CYP2A6 1809/4885KDM4E 4847/4885

“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.

Send feedback