SCHEMBL10128799

SCHEMBL10128799

Ic1ccc(-c2nnc3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)cn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL10128781 0.99 NPC1 (0.43) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128801 0.92 TSHR (0.39) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128796 0.92 NPC1 (0.40) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128819 0.90 RXFP1 (0.48) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128811 0.87 MAPT (0.35) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128806 0.87 ENPP3 (0.39) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128605 0.86 ALDH1A1 (0.43) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128821 0.85 RXFP1 (0.36) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128596 0.84 SMN1; SMN2 (0.43) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL10128803 0.84 GSTP1 (0.36) NPC1TSHRRAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 NPC1 3446/4885TSHR 1561/4885RAB9A 3001/4885

“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.