SCHEMBL278691

SCHEMBL278691

Clc1cc2nc3[nH]c4ccccc4c3nc2cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
TP53 P04637 2/20 0.72
CASP1 P29466 2/20 0.72
MAPK10 P53779 2/20 0.72
CASP7 P55210 2/20 0.72
POLB P06746 2/20 0.72
MAPT P10636 8/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
MAPK1 P28482 1/20 0.66
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
DAPK3 O43293 1/20 0.52
CHEK2 O96017 1/20 0.52
CDK1 P06493 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
SCHEMBL18808809 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL278729 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL29572859 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL9436882 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL9706302 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8832011 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8832035 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL9706263 0.75 CASP1 (0.65) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL3257675 0.75 MAPK9 (0.70) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL824397 0.74 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2TP53CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988810-B2 Methods and materials for detection of mutations PENTABASE APS (DK) 2021-04-27 US disclosed
US-20190085400-A1 METHODS AND MATERIALS FOR DETECTION OF MUTATIONS PENTABASE APS (DK) 2019-03-21 US disclosed
WO-2017045689-A1 METHODS AND MATERIALS FOR DETECTION OF MUTATIONS PENTABASE APS (DK) 2017-03-23 WO disclosed
US-8133984-B2 Oligonucleotides comprising signalling pairs and hydrophobic nucleotides, stemless beacons, for detection of nucleic acids, methylation status and mutants of nucleic acids PENTABASE APS (DK) 2012-03-13 US disclosed
US-8133984-B2 Oligonucleotides comprising signalling pairs and hydrophobic nucleotides, stemless beacons, for detection of nucleic acids, methylation status and mutants of nucleic acids PENTABASE APS (DK) 2012-03-13 US disclosed
US-20100121056-A1 PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR HUMAN GENETIC SIGNATURES PTY. LTD. (AU) 2010-05-13 US disclosed
US-20100121056-A1 PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR HUMAN GENETIC SIGNATURES PTY. LTD. (AU) 2010-05-13 US disclosed
US-20100068704-A1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2010-03-18 US disclosed
US-20100068704-A1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2010-03-18 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-20100068704-A1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS DNMT1, DNMT3A, DNMT3L NPC1 1858/4885RAB9A 3662/4885SMN1; SMN2 2134/4885
US-20100121056-A1 PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR POLRMT, POLN, RNASE1 NPC1 1807/4885RAB9A 4419/4885SMN1; SMN2 3710/4885

“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.