SCHEMBL3884172

SCHEMBL3884172

CN(CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NAAA Q02083 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL8271347 0.83 MTNR1A (0.58) L3MBTL1
SCHEMBL168006 0.83 GAA (0.61) GAALMNAPOLBHPGDALDH1A1
SCHEMBL14823336 0.81 GAA (0.59) GAALMNAPOLBHPGDALDH1A1
SCHEMBL29016424 0.80 GAA (0.57) GAALMNAPOLBHPGDALDH1A1
SCHEMBL28683590 0.79 GAA (0.55) GAALMNAPOLBHPGDALDH1A1
SCHEMBL10925171 0.78 NPC1 (0.53) GAALMNAPOLBALDH1A1NPC1
SCHEMBL3195736 0.77 GAA (0.53) GAALMNAPOLBHPGDALDH1A1
SCHEMBL12231008 0.76 CYP3A4 (0.57) GAALMNAPOLBALDH1A1NPC1
SCHEMBL23014132 0.75 HDAC1 (0.58) LMNAALDH1A1SMN1; SMN2HDAC1HDAC3
SCHEMBL4040134 0.74 HPGD (0.51) GAALMNAPOLBHPGDALDH1A1

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
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-8895781-B2 Transition metal-catalyzed C—H amination using unactivated amines GEORGETOWN UNIVERSITY (US) 2014-11-25 US disclosed
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines GEORGETOWN UNIVERSITY (US) 2011-09-01 US disclosed
WO-2010028159-A2 TRANSITION METAL-CATALYZED C-H AMINATION USING UNACTIVATED AMINES GEORGETOWN UNIVERSITY (US) 2010-03-11 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 (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-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines AOC3, AOC2, MPO GAA 2601/4885LMNA 3033/4885POLB 895/4885

“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.