SCHEMBL2418756

SCHEMBL2418756

CC(Oc1cccnc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
GRM2 Q14416 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
MAPK1 P28482 2/20 0.37
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2418753 0.81 HTT (0.51) HTTGRM2SMN1; SMN2CYP3A4CYP3A5
SCHEMBL28632092 0.80 HTT (0.56) HTTSMN1; SMN2KMT2ACHRNB4CHRNA3
SCHEMBL2411539 0.79 HTT (0.49) HTTGRM2SMN1; SMN2KMT2ACHRNB4
SCHEMBL1974134 0.77 GRM2 (0.53) HTTGRM2SMN1; SMN2KMT2ACHRNB2
Trifluoroacetic Acid SCHEMBL30901022 0.77 CYP3A4 (0.51) HTTGRM2SMN1; SMN2CYP3A4CYP3A5
SCHEMBL238960 0.76 HTT (0.58) HTTSMN1; SMN2KMT2ACHRNB4CHRNA3
SCHEMBL10002459 0.75 HTT (0.54) HTTSMN1; SMN2KMT2ACHRNB4CHRNA3
SCHEMBL6857473 0.75 KMT2A (0.50) SMN1; SMN2KMT2AMAPK1PLOD2PLOD3
SCHEMBL2413467 0.72 MAPT (0.45) GRM2SMN1; SMN2CHRNB2CHRNA4PLOD2
SCHEMBL5329081 0.72 PLA2G7 (0.40) HTTSMN1; SMN2MAPK1PLOD2PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026239-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-27 US disclosed
US-20100256201-A1 CELL DIFFERENTIATION INDUCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-07 US disclosed
US-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-20080188489-A1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-7317028-B2 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP disclosed
EP-1641458-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-05 EP disclosed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US disclosed
US-6794392-B1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents SCHERING AKTIENGESELLSCHAFT 2004-07-29 US disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
EP-1437346-A1 Benzamide derivatives useful as cell differentiation inducers Schering AG (DE) 2004-07-14 EP disclosed
US-6174905-B1 AS CARCINOSTATIC AGENT TO A HEMATOLOGIC MALIGNANCY AND A SOLID CARCINOMA MITSUI CHEMICALS, INC. (JP) 2001-01-16 US disclosed
EP-0847992-A1 Benzamide derivatives, useful as cell differentiation inducers Mitsui Chemicals, Inc. (JP) 1998-06-17 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 (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-20080188489-A1 Cell differentiation inducer MCL1, MYADM, MYD88 HTT 4821/4885GRM2 4474/4885SMN1; SMN2 3895/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 HTT 4492/4885GRM2 4740/4885SMN1; SMN2 2963/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HTT 4810/4885GRM2 4507/4885SMN1; SMN2 3861/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF HTT 1790/4885GRM2 2224/4885SMN1; SMN2 3930/4885

“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.