SCHEMBL890348

SCHEMBL890348

CSCc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
TRPA1 O75762 1/20 0.41
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL87756 0.79
SCHEMBL28084579 0.77 TP53 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP2D6
Water SCHEMBL14939031 0.77 IDO1 (0.46) ALDH1A1HSD17B10TSHRMAPTCYP2D6
SCHEMBL5209430 0.76 MAPT (0.44) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8718202 0.76 MEN1 (0.42) ALDH1A1MAPK1TDP1HSD17B10TSHR
SCHEMBL7024703 0.76 TAAR1 (0.50) ALDH1A1TSHRHTTCYP2D6LMNA
SCHEMBL1405463 0.76 TP53 (0.59) ALDH1A1MAPK1TDP1HSD17B10TSHR
SCHEMBL12208207 0.76 CYP2C19 (0.45) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1405461 0.76 TP53 (0.59) ALDH1A1MAPK1TDP1HSD17B10TSHR
SCHEMBL692013 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1HSD17B10TSHR

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
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 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 (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-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 ALDH1A1 4598/4885MAPK1 4789/4885TDP1 1394/4885

“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.