SCHEMBL2196592

SCHEMBL2196592

Cc1ccccc1NC(=O)Nc1[c]cccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 3/20 0.53
HPGD P15428 2/20 0.51
ITGB3 P05106 2/20 0.50
ITGAV P06756 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9725165 0.84 SMN1; SMN2 (0.44) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL1275926 0.82 RAB9A (0.75) DDX3XMAPTALDH1A1L3MBTL1GAA
SCHEMBL3996276 0.78 SMN1; SMN2 (0.53) MAPTALDH1A1L3MBTL1GAATP53
SCHEMBL6250049 0.77 MEN1 (0.57) ALDH1A1GAARAB9ANPC1POLB
SCHEMBL3754787 0.76 SMN1; SMN2 (0.63) MAPTTP53RAB9ANPC1KMT2A
SCHEMBL11648048 0.75 TDP1 (0.42) MAPTALDH1A1L3MBTL1GAATP53
SCHEMBL482522 0.75 HPGD (0.57) MAPTALDH1A1L3MBTL1TP53ALOX15
SCHEMBL688197 0.75 DDX3X (0.66) DDX3XMAPTALDH1A1L3MBTL1GAA
SCHEMBL6033544 0.75 SMN1; SMN2 (0.38) MAPTALDH1A1GAATP53ALOX15
SCHEMBL812756 0.74 DDX3X (0.80) DDX3XMAPTALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276714-A2 CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2003-01-22 EP claimed
WO-2001081298-A2 CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-01 WO claimed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST DDX3X 3795/4885MAPT 641/4885ALDH1A1 1054/4885

“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.