SCHEMBL2979137

SCHEMBL2979137

O=c1c2c([nH]c3ccccc13)CCNC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.73
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
PARP1 P09874 2/20 0.62
HTR5A P47898 1/20 0.61
NISCH Q9Y2I1 1/20 0.61
NR2E1 Q9Y466 1/20 0.61
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL29466239 0.86 TAAR1 (0.96) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL169954 0.86 TAAR1 (0.96) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL11468065 0.85 KDM4E (0.60) TAAR1KDM4EALDH1A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL30741597 0.85 TAAR1 (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2243782 0.85 TAAR1 (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL32667958 0.78 KDM4E (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL1383033 0.78 KDM4E (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL3045846 0.78 HTR2A (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL29736160 0.78 HTR2A (1.00) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL8359331 0.77 PARP1 (1.00) TAAR1KDM4EHTR2AHTR2CPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200079768-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES ARTAX BIOPHARMA INC. 2020-03-12 US claimed
EP-3375784-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES Artax Biopharma Inc. (US) 2018-09-19 EP claimed
US-20200079768-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES ARTAX BIOPHARMA INC. 2020-03-12 US disclosed
WO-2018170048-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES ARTAX BIOPHARMA, INC. (US) 2018-09-20 WO disclosed
EP-3375784-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES Artax Biopharma Inc. (US) 2018-09-19 EP disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TAAR1 4360/4885KDM4E 691/4885ALDH1A1 806/4885
US-20200079768-A1 AZA-DIHYDRO-ACRIDONE DERIVATIVES CDKN1A, CD4, MKI67 TAAR1 552/4885KDM4E 1211/4885ALDH1A1 80/4885

“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.