SCHEMBL79386

SCHEMBL79386

C=C(Br)CSc1ccccc1N(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.35
POLB P06746 3/20 0.34
NPC1 O15118 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPY2R P49146 2/20 0.34
EGFR P00533 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL78353 0.87 ALDH1A1 (0.40) CYP1A2ALDH1A1HSD17B10KMT2ARAB9A
SCHEMBL77536 0.85 CYP1A2 (0.37) CYP1A2ALDH1A1HSD17B10KMT2ARAB9A
SCHEMBL80587 0.78 NPY2R (0.36) CYP1A2ALDH1A1HSD17B10KMT2ARAB9A
SCHEMBL78628 0.77 NPY2R (0.52) ALDH1A1KMT2ARAB9APOLBNPC1
SCHEMBL11343622 0.77 KMT2A (0.37) CYP1A2ALDH1A1KMT2ARAB9APOLB
SCHEMBL80086 0.76 MTNR1A (0.42) KMT2ARAB9ANPC1NPY2RKDM4E
SCHEMBL78291 0.76 RIPK1 (0.36) ALDH1A1KMT2ARAB9ANPC1NPY2R
SCHEMBL78113 0.75 TSHR (0.48) CYP1A2ALDH1A1HSD17B10KMT2APOLB
SCHEMBL11301510 0.75 PTGS2 (0.51) CYP1A2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL79839 0.73 KMT2A (0.38) CYP1A2HSD17B10KMT2ARAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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 CYP1A2 78/4885ALDH1A1 960/4885HSD17B10 1503/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT CYP1A2 78/4885ALDH1A1 960/4885HSD17B10 1503/4885

“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.