SCHEMBL88870

SCHEMBL88870

C=CCN(C)C(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ATM Q13315 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 5/20 0.44
ABHD6 Q9BV23 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 3/20 0.43
LSS P48449 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 2/20 0.40
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL9959544 0.83 KMT2A (0.50) KMT2ASMN1; SMN2MEN1KDM4EATM
SCHEMBL3482995 0.81 TDP1 (0.52) KMT2ASMN1; SMN2MEN1KDM4EATM
SCHEMBL11422431 0.80 KMT2A (0.48) KMT2ASMN1; SMN2MEN1KDM4EATM
SCHEMBL5322107 0.80 KMT2A (0.48) KMT2ASMN1; SMN2MEN1KDM4EATM
SCHEMBL31164812 0.79 NPC1 (0.61) KMT2ASMN1; SMN2MEN1ATMTDP1
SCHEMBL12712356 0.79 BCHE (0.59) KMT2ASMN1; SMN2MEN1ATMTDP1
SCHEMBL13684203 0.78 ALDH1A1 (0.50) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL21802387 0.77 ATM (0.52) KMT2ASMN1; SMN2MEN1ATMTDP1
SCHEMBL27622579 0.77 TDP1 (0.52) KMT2ASMN1; SMN2MEN1KDM4EATM
Trimethylammonium SCHEMBL28842333 0.77 THRB (0.51) KMT2ASMN1; SMN2MEN1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868468-A Bidentate secondary phosphine oxide chiral ligands for asymmetric addition reactions SOLVIAS AG 2010-10-20 CN claimed
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
CN-101868468-A Bidentate secondary phosphine oxide chiral ligands for asymmetric addition reactions SOLVIAS AG 2010-10-20 CN disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 US disclosed
US-3992455-A CHEMICAL INTERMEDIATES FOR INSECTICIDES KOPPERS COMPANY, INC. (US) 1976-11-16 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885SMN1; SMN2 1792/4885MEN1 862/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885SMN1; SMN2 1792/4885MEN1 862/4885

“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.