SCHEMBL6879816

SCHEMBL6879816

Nc1ccc(-c2ncc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RIPK1 Q13546 1/20 0.47
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
NQO2 P16083 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
BMPR1B O00238 4/20 0.43
BMPR1A P36894 4/20 0.43
TGFBR1 P36897 4/20 0.43
ACVRL1 P37023 4/20 0.43
ACVR1 Q04771 4/20 0.43

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
SCHEMBL6026705 0.85 KMT2A (0.48) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL6027061 0.84 PTPN1 (0.50) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL6028629 0.84 PTPN1 (0.50) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL6026031 0.84 MEN1 (0.52) NPC1RAB9ASMN1; SMN2RIPK1PTPN1
SCHEMBL6026806 0.81 EGFR (0.52) NPC1RAB9ASMN1; SMN2RIPK1KMT2A
SCHEMBL6886228 0.81 EGFR (0.52) NPC1RAB9ASMN1; SMN2RIPK1KMT2A
SCHEMBL6026920 0.81 EPHX2 (0.47) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL6026524 0.81 EPHX2 (0.47) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL6027155 0.80 HSD11B1 (0.44) KMT2ANQO2
SCHEMBL6028026 0.80 KMT2A (0.43) NPC1RAB9ACYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 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 (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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 NPC1 4755/4885RAB9A 3864/4885CYP1A2 2544/4885

“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.