SCHEMBL3906341

SCHEMBL3906341

CCOc1ccc(N(C(=O)Cl)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
PKM P14618 2/20 0.51
MITF O75030 1/20 0.51
GAA P10253 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PAX8 Q06710 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL8893391 0.86 KDM4E (0.50) KDM4ENPC1SMN1; SMN2RAB9APKM
SCHEMBL7981944 0.74 PTGIR (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11464553 0.73 MEN1 (0.50) KDM4ESMN1; SMN2GAAALDH1A1MAPT
SCHEMBL7968757 0.73 POLB (0.52) KDM4ENPC1SMN1; SMN2RAB9APKM
SCHEMBL22074391 0.73 TRPM8 (0.52) KDM4ENPC1SMN1; SMN2RAB9APKM
SCHEMBL9069781 0.72 LMNA (0.48) KDM4ENPC1SMN1; SMN2GAACYP2C19
SCHEMBL7978941 0.71 TP53 (0.51) NPC1SMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL7980229 0.71 NPC1 (0.66) KDM4ENPC1SMN1; SMN2RAB9AMITF
SCHEMBL7981765 0.70 PTGIR (0.49) KDM4ESMN1; SMN2GAACYP1A2CYP3A4
SCHEMBL11874279 0.70 KMT2A (0.50) KDM4ENPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
US-6992069-B2 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2006-01-31 US disclosed
US-20040029818-A1 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2004-02-12 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 (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-20040029818-A1 Tricyclic macrolide antibacterial compounds RPN1, CASP1, MRPL21 KDM4E 4677/4885NPC1 9/4885SMN1; SMN2 2133/4885

“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.