SCHEMBL4197352

SCHEMBL4197352

O=C(/C=C/c1n[nH]c2ccccc12)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.57
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AURKA O14965 1/20 0.46
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3B P49841 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
PLAU P00749 1/20 0.44

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
SCHEMBL4197357 1.00 MMP1 (0.57) MMP1MMP2MMP9SMN1; SMN2ALDH1A1
SCHEMBL4669121 0.84 MMP1 (0.53) MMP1MMP2MMP9SMN1; SMN2ALDH1A1
SCHEMBL4669118 0.84 MMP1 (0.53) MMP1MMP2MMP9SMN1; SMN2ALDH1A1
SCHEMBL4205645 0.82 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4205649 0.82 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2945140 0.80 CHEK1 (0.48) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL300191 0.80 CHEK1 (0.48) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL4197895 0.80 RAB9A (0.64) MMP1MMP2MMP9SMN1; SMN2ALDH1A1
SCHEMBL4197899 0.80 RAB9A (0.64) MMP1MMP2MMP9SMN1; SMN2ALDH1A1
SCHEMBL1597185 0.79 KDR (0.55) AURKAMAPK3MAPK1GSK3BITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US claimed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (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-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 MMP1 2542/4885MMP2 4300/4885MMP9 3831/4885

“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.