SCHEMBL5956550

SCHEMBL5956550

O=C(N[C@H]1CCS(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc21)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
POLB P06746 1/20 0.49
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
MAOA P21397 1/20 0.43
KDM1B Q8NB78 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
SCD O00767 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5956609 1.00 ROCK2 (0.50) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956664 1.00 ROCK2 (0.50) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956622 0.95 ROCK2 (0.49) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956624 0.88 POLB (0.47) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956682 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5956651 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5956707 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5956644 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5956600 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5956683 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US claimed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US claimed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US claimed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 EP claimed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US claimed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US claimed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US disclosed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US disclosed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 EP disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP disclosed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US disclosed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US disclosed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO disclosed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 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 (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-20020128210-A1 Triterpenes having human antifungal and antiyeast activity ERG28, LSS, MANBA ROCK2 2869/4885POLB 1315/4885KDM1A 4714/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 ROCK2 1254/4885POLB 1670/4885KDM1A 2445/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS ROCK2 3529/4885POLB 663/4885KDM1A 4791/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 ROCK2 3638/4885POLB 2698/4885KDM1A 3410/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS ROCK2 3529/4885POLB 663/4885KDM1A 4791/4885

“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.