SCHEMBL716542

SCHEMBL716542

CC(=O)c1nc(Br)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA9 Q16790 1/20 0.49
BRD4 O60885 1/20 0.47
MAOB P27338 4/20 0.47
FOLH1 Q04609 1/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTGER1 P34995 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL601741 0.88 FOLH1 (0.50) L3MBTL1FOLH1SMPD1HDAC1HDAC8
SCHEMBL595556 0.86 SMPD1 (0.48) MAPTSMN1; SMN2TDP1BRD4FOLH1
SCHEMBL30497608 0.86 SMPD1 (0.48) MAPTSMN1; SMN2TDP1BRD4FOLH1
SCHEMBL20616566 0.84 SMN1; SMN2 (0.49) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL720290 0.83 MAPT (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL16333950 0.81 SGMS2 (0.58) MAPTSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL595531 0.79 SMPD1 (0.52) MAPTL3MBTL1SMPD1HDAC1HDAC8
SCHEMBL25373068 0.79 PPARG (0.42) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL29836285 0.78 LTA4H (0.55) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL4691988 0.78 LTA4H (0.55) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 US disclosed
WO-2017132538-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-03 WO disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885CYP2C9 896/4885CYP2C19 946/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885CYP2C9 896/4885CYP2C19 946/4885
US-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 MAPT 4441/4885CYP2C9 2840/4885CYP2C19 2224/4885

“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.