SCHEMBL10128601

SCHEMBL10128601

Brc1ccc(-c2nnc3c4cccc(-c5ccccc5)c4ccn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL10128782 0.86 TSHR (0.40) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128596 0.85 SMN1; SMN2 (0.43) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128603 0.84 SMN1; SMN2 (0.40) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128575 0.83 TNKS (0.40) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128605 0.83 ALDH1A1 (0.43) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128320 0.82 HSD11B1 (0.41) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128610 0.82 HDAC8 (0.41) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128003 0.80 ALOX5 (0.44) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL10128160 0.80 ALOX5 (0.44) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL515649 0.80 MAPT (0.41) NPC1RAB9ATSHRSMN1; SMN2RXFP1

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 3446/4885RAB9A 3001/4885TSHR 1561/4885

“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.