SCHEMBL10299385

SCHEMBL10299385

Oc1cccc(-c2nnc(-c3ccccc3)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.65
RAB9A P51151 15/20 0.65
SMN1; SMN2 Q16637 10/20 0.65
TSHR P16473 5/20 0.62
HPGD P15428 4/20 0.62
TP53 P04637 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
MECP2 P51608 1/20 0.62
ATAD2 Q6PL18 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
GUSB P08236 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53

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
SCHEMBL1180155 0.94 HSD17B1 (0.59) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL11939392 0.86 GUSB (0.52) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL14378791 0.86 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL12171406 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL29090805 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL5638741 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL12306757 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL12171741 0.83 CA12 (0.58) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL9737591 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL967890 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 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-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD1, OCIAD2, OXA1L NPC1 643/4885RAB9A 2633/4885SMN1; SMN2 4701/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 NPC1 816/4885RAB9A 1811/4885SMN1; SMN2 4781/4885

“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.