SCHEMBL10128596

SCHEMBL10128596

Brc1ccc(-c2nnc3c4ccccc4c(-c4ccccc4)cn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10128605 0.99 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128603 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128621 0.92 RXFP1 (0.48) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128608 0.91 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128610 0.88 HDAC8 (0.41) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128622 0.87 RXFP1 (0.36) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128612 0.86 MAPT (0.36) SMN1; SMN2NPC1RAB9ARXFP1MAPT
SCHEMBL10128781 0.85 NPC1 (0.43) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128604 0.85 MAPT (0.37) SMN1; SMN2NPC1RAB9ATSHRRXFP1
SCHEMBL10128567 0.85 RXFP1 (0.42) SMN1; SMN2NPC1RAB9ATSHRRXFP1

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 SMN1; SMN2 4667/4885NPC1 3446/4885RAB9A 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.