SCHEMBL11833609

SCHEMBL11833609

CCOC(=O)c1cccnc1Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
DHODH Q02127 4/20 0.64
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 7/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 7/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 5/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TSHR P16473 1/20 0.54
PPIA P62937 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
AHR P35869 1/20 0.53
ILK Q13418 1/20 0.52
HPGD P15428 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
SCHEMBL9132117 0.90 DHODH (0.58) HTTDHODHMEN1KMT2AMAPT
SCHEMBL12478898 0.88 DHODH (0.65) HTTDHODHMEN1KMT2AMAPT
SCHEMBL12478838 0.88 RAB9A (0.65) HTTDHODHMEN1KMT2AMAPT
SCHEMBL10377167 0.87 RAB9A (0.70) HTTDHODHMEN1KMT2AMAPT
SCHEMBL26742261 0.87 HTT (0.56) HTTDHODHMEN1KMT2AMAPT
SCHEMBL7281512 0.85 DHODH (0.71) HTTDHODHMEN1KMT2AMAPT
SCHEMBL23423499 0.85 HTT (0.57) HTTDHODHMEN1KMT2AMAPT
SCHEMBL4167706 0.83 MEN1 (0.58) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL28000002 0.82 HTT (0.67) HTTMAPTALDH1A1RAB9AMAPK1
SCHEMBL10378109 0.82 HTT (0.54) HTTDHODHMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029553-B2 2-anilino nicotinyl linked 2-amino benzothiazole conjugates and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-12 US disclosed
EP-2675802-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-12-25 EP disclosed
US-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-05 US disclosed
WO-2012111016-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
US-3959272-A ANALGESICS, ANTIINFLAMMATORY, PSYCHOTROPIC SOCIETE ANONYME DITE: HEXACHIME (FR) 1976-05-25 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-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF CASP2, NAPRT, NME2 HTT 2318/4885DHODH 680/4885MEN1 3039/4885

“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.