SCHEMBL1781741

SCHEMBL1781741

Cc1ncnc2c1C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
DRD1 P21728 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 4/20 0.36
CYP2C9 P11712 1/20 0.35
BRD4 O60885 3/20 0.35
SRC P12931 1/20 0.35
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL18237942 0.77 TSHR (0.39) TSHRDRD1ALDH1A1HTTKMT2A
SCHEMBL30764481 0.77 TSHR (0.39) TSHRDRD1ALDH1A1HTTKMT2A
SCHEMBL19131345 0.77 TSHR (0.39) TSHRALDH1A1HTTKMT2AHPGD
SCHEMBL30764609 0.73 ALDH1A1 (0.39) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7917747 0.72 TSHR (0.44) TSHRALDH1A1HTTKMT2AHPGD
SCHEMBL1586120 0.71 DRD1 (0.48) TSHRDRD1ALDH1A1KMT2AMAPT
SCHEMBL19152985 0.69 KDM4E (0.38) TSHRDRD1ALDH1A1KMT2AHPGD
SCHEMBL15598418 0.68 KDM4E (0.52) TSHRALDH1A1HTTKMT2AHPGD
SCHEMBL19152890 0.68 BRD4 (0.37) TSHRALDH1A1HTTKMT2AHPGD
SCHEMBL16079383 0.67 KDM4E (0.45) TSHRDRD1ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT TSHR 2393/4885DRD1 3612/4885ALDH1A1 2151/4885
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TSHR 1723/4885DRD1 4083/4885ALDH1A1 1998/4885

“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.