SCHEMBL3844573

SCHEMBL3844573

Cc1n(CC(=O)NCCc2c(Cl)cccc2Cl)cc[n+]1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TRPA1 O75762 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL3853582 0.79 ALDH1A1 (0.44) LMNAHTTALDH1A1HPGDL3MBTL1
Bromide SCHEMBL3849523 0.77 FEN1 (0.39) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
Bromide SCHEMBL3844286 0.76 HPGD (0.50) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL3844576 0.74 ALDH1A1 (0.40) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3847383 0.72 KMT2A (0.57) LMNAALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL14241871 0.72 CYP1A2 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4104315 0.71 POLB (0.51) SMN1; SMN2LMNAALDH1A1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3847738 0.69 KMT2A (0.39) LMNAALDH1A1HPGDL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3846468 0.69 POLB (0.52) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL17689390 0.68 CYP1A2 (0.53) SMN1; SMN2LMNAALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 EP disclosed
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 EP disclosed
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID SYNVISTA THERAPEUTICS, INC. 2002-11-28 US disclosed
US-20020160993-A1 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. 2002-10-31 US disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 US disclosed
WO-2002007725-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON, INC. (US) 2002-01-31 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 (8 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 SMN1; SMN2 605/4885TRPA1 4226/4885LMNA 1024/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 SMN1; SMN2 3940/4885TRPA1 1519/4885LMNA 2101/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 SMN1; SMN2 549/4885TRPA1 4101/4885LMNA 1032/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 SMN1; SMN2 204/4885TRPA1 3126/4885LMNA 825/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 SMN1; SMN2 1693/4885TRPA1 2968/4885LMNA 1911/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 SMN1; SMN2 295/4885TRPA1 4662/4885LMNA 685/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX SMN1; SMN2 306/4885TRPA1 2351/4885LMNA 473/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 SMN1; SMN2 2173/4885TRPA1 2741/4885LMNA 1815/4885

“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.