SCHEMBL6319475

SCHEMBL6319475

Cc1c(C(=O)O)cnn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.50
PFKFB3 Q16875 1/20 0.49
NPBWR1 P48145 2/20 0.48
MCHR1 Q99705 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SLC9A1 P19634 1/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
PTGS2 P35354 1/20 0.43

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
SCHEMBL23889103 0.89 MAPK1 (0.61) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL20647142 0.87 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL6313469 0.86 MAPT (0.63) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL28798719 0.84 MAPT (0.62) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL2856196 0.84 MAPT (0.70) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL2855932 0.83 NPC1 (0.69) MAPTRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL6312220 0.82 SLC9A1 (0.65) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL6052118 0.82 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
Hydrochloric Acid SCHEMBL6312210 0.80 MAPT (0.51) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL1074233 0.80 MAPK1 (0.58) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497257-A1 2,5-BIS-DIAMINE-[1,4] BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE, A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR Alma Mater Studiorum -Universita' di Bologna (IT) 2005-01-19 EP claimed
WO-2003087035-A1 2,5-BIS-DIAMINE-'1,4! BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2003-10-23 WO claimed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 MAPT 1285/4885RAB9A 1528/4885SMN1; SMN2 3412/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MAPT 4418/4885RAB9A 2117/4885SMN1; SMN2 3122/4885

“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.