SCHEMBL3500290

SCHEMBL3500290

Clc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.61
HPGD P15428 1/20 0.61
POLB P06746 3/20 0.58
HTT P42858 2/20 0.53
PKM P14618 1/20 0.51
PTGS2 P35354 2/20 0.50
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
JAK3 P52333 1/20 0.47
NTRK2 Q16620 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
HTR2A P28223 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL27776226 0.81 LMNA (0.81) LMNAMAPTSMN1; SMN2MAPK1POLB
SCHEMBL12686076 0.79 MEN1 (0.71) LMNAMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL8973367 0.78 TSHR (0.59) LMNAMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL8973410 0.78 TSHR (0.65) LMNAMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL29970593 0.78 POLB (0.49) LMNAMAPTSMN1; SMN2POLBHTT
SCHEMBL14866255 0.77 POLB (0.51) LMNAPOLBHTTPTGS2KMT2A
SCHEMBL22737354 0.76 LMNA (0.55) LMNAMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL31086767 0.76 LMNA (0.68) LMNAMAPTSMN1; SMN2MAPK1POLB
SCHEMBL12686276 0.75 MAPT (0.49) LMNAMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL29345081 0.75 CTSL (0.71) LMNAMAPTSMN1; SMN2MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2010-07-29 US claimed
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-03-29 US claimed
US-7064125-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-06-20 US claimed
US-20060035896-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-02-16 US claimed
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2004-08-19 US claimed
WO-2002036578-A9 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2004-04-22 WO claimed
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2003-05-29 US claimed
US-20020103195-A1 LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS,INC. 2002-08-01 US claimed
WO-2002036578-A2 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 WO claimed
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2010-07-29 US disclosed
US-7608620-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-10-27 US disclosed
US-7199238-B2 LPAAT-β inhibitors and uses thereof CELL THERAPUETICS, INC. (US) 2007-04-03 US disclosed
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-03-29 US disclosed
US-20060035896-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-02-16 US disclosed
WO-2002036578-A9 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2004-04-22 WO disclosed
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2003-05-29 US disclosed
US-20020103195-A1 LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS,INC. 2002-08-01 US disclosed
WO-2002036578-A2 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 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 (6 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-20060035896-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 869/4885MAPT 2134/4885SMN1; SMN2 4784/4885
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF LPCAT3, LPCAT1, PLAAT2 LMNA 1362/4885MAPT 2807/4885SMN1; SMN2 4780/4885
US-20020103195-A1 LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 1834/4885MAPT 3108/4885SMN1; SMN2 4809/4885
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 1362/4885MAPT 2807/4885SMN1; SMN2 4780/4885
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 1339/4885MAPT 2914/4885SMN1; SMN2 4791/4885
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 1339/4885MAPT 2914/4885SMN1; SMN2 4791/4885

“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.