SCHEMBL4709484

SCHEMBL4709484

CC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
KDM4E B2RXH2 11/20 1.00
MAPT P10636 8/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
HSD17B10 Q99714 6/20 1.00
CASP1 P29466 5/20 1.00
ALOX15 P16050 3/20 1.00
CASP7 P55210 3/20 1.00
HPGD P15428 6/20 0.74
GAA P10253 3/20 0.74
THRB P10828 1/20 0.74
ALOX12 P18054 1/20 0.60
POLB P06746 2/20 0.55
PABPC1 P11940 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL4045538 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4051254 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5011418 0.72 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2614831 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10016599 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4218522 0.68 KRAS (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15571329 0.63 CUL4A (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4157376 0.62 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14318241 0.61 KDM4E (0.62) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4923976 0.61 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540389-B2 Antimicrobial potentiators MICROBIOTIX, INC. (US) 2017-01-10 US disclosed
US-9540389-B2 Antimicrobial potentiators MICROBIOTIX, INC. (US) 2017-01-10 US disclosed
US-20160075714-A1 Antimicrobial Potentiators MICROBIOTIX, INC. (US) 2016-03-17 US disclosed
WO-2014179784-A2 ANTIMICROBIAL POTENTIATORS MICROBIOTIX, INC. (US) 2014-11-06 WO disclosed
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 US disclosed
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US disclosed
EP-1913003-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-04-23 EP disclosed
EP-1819712-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2007017078-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2006058723-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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 (3 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-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B ALDH1A1 438/4885KDM4E 1526/4885MAPT 3431/4885
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 ALDH1A1 2625/4885KDM4E 3618/4885MAPT 4743/4885
US-20160075714-A1 Antimicrobial Potentiators NR1H2, ABCC5, NR1H3 ALDH1A1 4200/4885KDM4E 3407/4885MAPT 4881/4885

“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.