SCHEMBL2848314

SCHEMBL2848314

O=C(O)NCCn1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 4/20 0.49
RAB9A P51151 1/20 0.43
THRB P10828 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT5B P51692 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HMOX1 P09601 1/20 0.40
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL18072243 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL18362136 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL23028734 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL23028737 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL23028603 0.75 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL23028604 0.74 TP53 (0.43) ALDH1A1MEN1KMT2ATP53RAB9A
Hydrochloric Acid SCHEMBL10639803 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53RAB9A
Acetic Acid SCHEMBL10839556 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL6373759 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53RAB9A
Hydrochloric Acid SCHEMBL10639827 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
EP-2195303-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-06-16 EP disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
WO-2009038752-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-03-26 WO 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 (7 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885MEN1 996/4885KMT2A 1990/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885MEN1 996/4885KMT2A 1990/4885
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 ALDH1A1 1001/4885MEN1 4766/4885KMT2A 1434/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885MEN1 996/4885KMT2A 1990/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR ALDH1A1 4764/4885MEN1 595/4885KMT2A 2784/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885MEN1 996/4885KMT2A 1990/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885MEN1 996/4885KMT2A 1990/4885

“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.