SCHEMBL5446296

SCHEMBL5446296

C[n+]1ccn(CC(=O)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.40
MGAM O43451 2/20 0.39
AMY1A P0DUB6 2/20 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 SCHEMBL3849535 0.98 MEN1 (0.46) MEN1KMT2ARECQLSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3849007 0.82 KMT2A (0.48) MEN1KMT2ARECQLSMN1; SMN2KDM4E
Bromide SCHEMBL3844582 0.71 LMNA (0.74) MEN1KMT2ARECQLSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3849370 0.70 MEN1 (0.48) MEN1KMT2ARECQLSMN1; SMN2KDM4E
Bromide SCHEMBL3851136 0.70 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL20527610 0.70 L3MBTL1 (0.42) MEN1KMT2ARECQLSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3854535 0.69 LMNA (0.53) MEN1KMT2ARECQLKDM4EPOLB
Bromide SCHEMBL3849745 0.68 ATM (0.52) KMT2ASMN1; SMN2KDM4EMAPTPOLB
Bromide SCHEMBL3845104 0.68 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2MAPTRAB9ALMNA
SCHEMBL10656937 0.67 TSHR (0.59) MEN1KMT2ARECQLSMN1; SMN2KDM4E

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 MEN1 494/4885KMT2A 4051/4885RECQL 1540/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX MEN1 515/4885KMT2A 4075/4885RECQL 1439/4885

“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.