SCHEMBL18965627

SCHEMBL18965627

COc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4n3C)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.37
GAA P10253 2/20 0.36
KIT P10721 1/20 0.36
THRB P10828 1/20 0.36
IL6 P05231 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL17488242 0.92 NPC1 (0.41) LMNAKDRNPC1RAB9ATP53
SCHEMBL17488173 0.91 CYP3A4 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965788 0.91 P2RX3 (0.40) LMNANPC1RAB9ATP53ALDH1A1
SCHEMBL17488116 0.90 NPC1 (0.38) LMNAKDRNPC1RAB9ATP53
SCHEMBL18965860 0.89 CYP3A4 (0.44) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488253 0.89 SCN9A (0.46)
SCHEMBL17488241 0.89 P2RX3 (0.44) LMNAKDRNPC1RAB9ATP53
SCHEMBL18965767 0.87 NPC1 (0.40) LMNAKDRNPC1RAB9ATP53
SCHEMBL17488209 0.87 NPC1 (0.46) LMNAKDRNPC1RAB9ATP53
SCHEMBL18965769 0.86 NPC1 (0.41) LMNAKDRNPC1RAB9ATP53

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 LMNA 1905/4885KDR 2470/4885NPC1 2764/4885

“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.