SCHEMBL31177909

SCHEMBL31177909

Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.66
NR1H3 Q13133 6/20 0.66
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
CYP1A2 P05177 2/20 0.66
HPGD P15428 2/20 0.66
TP53 P04637 1/20 0.66
ALPL P05186 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
ADORA2A P29274 1/20 0.66
LMNA P02545 1/20 0.63
HPGDS O60760 1/20 0.58
ATAD2 Q6PL18 1/20 0.55
DGAT1 O75907 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL29363209 0.82 NR1H2 (0.61) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL1085963 0.82 NR1H2 (0.61) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL1528413 0.79 ADORA2A (1.00) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL666693 0.79 NR1H2 (1.00) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279723 0.78 NR1H2 (0.64) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL1071190 0.77 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL26109969 0.77 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17574086 0.77 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL11177912 0.77 NR1H2 (0.64) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279743 0.77 NR1H2 (0.66) NR1H2NR1H3NPC1RAB9ASMN1; SMN2

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-12101996-B2 Organometallic compound, light-emitting device including the same, and electronic apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2024-09-24 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-12101996-B2 Organometallic compound, light-emitting device including the same, and electronic apparatus CRY1, LAGE3, LEF1 NR1H2 2258/4885NR1H3 2475/4885NPC1 3233/4885

“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.