SCHEMBL5446304

SCHEMBL5446304

Cn1cc[n+](CC(=O)c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
RAB9A P51151 3/20 0.49
KMT2A Q03164 8/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 5/20 0.47
RECQL P46063 2/20 0.46
KDM4E B2RXH2 6/20 0.43
PABPC1 P11940 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39

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 SCHEMBL3849537 0.98 POLB (0.52) POLBRAB9AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3849009 0.82 POLB (0.50) POLBRAB9AKMT2AMEN1ALDH1A1
Bromide SCHEMBL3847297 0.74 KDM4E (0.55) POLBKMT2AMEN1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL3849374 0.70 POLB (0.50) POLBRAB9AKMT2AMEN1ALDH1A1
Bromide SCHEMBL3851139 0.70 KMT2A (0.52) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL13708463 0.70 CA1 (0.54) POLBKMT2AMEN1ALDH1A1RECQL
SCHEMBL20527609 0.70 CA1 (0.44) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13394254 0.69 KMT2A (0.70) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL16624840 0.69 KMT2A (0.64) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL18745980 0.69 RAB9A (0.55) POLBRAB9AKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US claimed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US claimed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 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 (2 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-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 POLB 3175/4885RAB9A 2963/4885KMT2A 4051/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX POLB 3600/4885RAB9A 3066/4885KMT2A 4075/4885

“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.