SCHEMBL3286806

SCHEMBL3286806

Nc1ccccc1CNc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 3/20 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
SCHEMBL28119275 0.85 L3MBTL1 (0.50) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL6272631 0.83 L3MBTL1 (0.49) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL29546521 0.81 KMT2A (0.43) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL22169191 0.78 ALDH1A1 (0.45) L3MBTL1GAAKMT2AALDH1A1MAPT
SCHEMBL28392122 0.78 CA12 (0.75) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL5272908 0.75 KDM4E (0.48) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL11935875 0.74 HDAC1 (0.48) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL10055034 0.74 HDAC1 (0.54) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL29547101 0.74 KDM4E (0.60) L3MBTL1LMNAGAAKMT2AALDH1A1
SCHEMBL7155765 0.74 LMNA (0.64) L3MBTL1LMNAGAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH L3MBTL1 4060/4885LMNA 3978/4885GAA 1000/4885

“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.