SCHEMBL4816973

SCHEMBL4816973

Cc1cc(N2CCOCC2)ccc1N=C=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 7/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 5/20 0.44
MITF O75030 1/20 0.44
NTSR1 P30989 1/20 0.44
LGMN Q99538 1/20 0.42
LMNA P02545 2/20 0.41
NSD2 O96028 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL19623512 0.80 MAPT (0.53) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20069 0.76 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1911932 0.76 MAPT (0.69) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9424159 0.75 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9423830 0.73 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16394331 0.73 LMNA (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16800304 0.71 GAA (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9424361 0.71 PRKDC (0.48) MAPTALDH1A1KDM4EHTTHSD17B10
SCHEMBL14866696 0.71 GAA (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL19406876 0.71 MAPT (0.58) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2005-08-11 US disclosed
EP-1458691-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051275-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051274-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 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 (1 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-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof GABRA1, GABRA3, GABRA4 MAPT 2727/4885ALDH1A1 794/4885KDM4E 1507/4885

“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.