SCHEMBL16076484

SCHEMBL16076484

C=c1ccc2c(c1)Oc1cc(N)ccc1C=2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.34
MAOA P21397 1/20 0.32
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12355823 0.83 LMNA (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17833829 0.83 ALOX5 (0.40) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL12923619 0.81 MEN1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15357412 0.81
SCHEMBL17553408 0.80
SCHEMBL15357330 0.78 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12452198 0.77 MAPT (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10293850 0.74 PARG (0.31)
SCHEMBL19269203 0.72 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19269204 0.71 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180149654-A1 BIOSENSORS AND METHODS FOR DETECTION OF LYSOPHOSPHATIDIC ACID FOR SIGNALING OF OVARIAN CANCER ECONOUS SYSTEMS INC. (CA) 2018-05-31 US disclosed
US-20170258933-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF MOLECULES INTO LIVE CELLS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-09-14 US disclosed
US-9662404-B2 Compositions and methods for the delivery of molecules into live cells THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-05-30 US disclosed
US-9329185-B2 Sulfonate compounds UNIVERSITY OF MASSACHUSETTS (US) 2016-05-03 US disclosed
US-20150099690-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF MOLECULES INTO LIVE CELLS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-04-09 US disclosed
US-20140275526-A1 SULFONATE COMPOUNDS UNIVERSITY OF MASSACHUSETTS (US) 2014-09-18 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 (3 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-20150099690-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF MOLECULES INTO LIVE CELLS ANXA6, ANXA5, ANXA1 KDM4E 4532/4885MEN1 878/4885ALDH1A1 4878/4885
US-20180149654-A1 BIOSENSORS AND METHODS FOR DETECTION OF LYSOPHOSPHATIDIC ACID FOR SIGNALING OF OVARIAN CANCER LPAR6, LPAR2, LPAR1 KDM4E 2848/4885MEN1 1949/4885ALDH1A1 3699/4885
US-20170258933-A1 COMPOSITIONS AND METHODS FOR THE DELIVERY OF MOLECULES INTO LIVE CELLS ANXA6, ANXA5, ANXA1 KDM4E 4532/4885MEN1 878/4885ALDH1A1 4878/4885

“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.