SCHEMBL10128580

SCHEMBL10128580

CC(C)c1cn2c(-c3ccc(Br)cc3)nnc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
APAF1 O14727 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL10128582 0.88 RXFP1 (0.36) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128767 0.86 RXFP1 (0.38) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128567 0.84 RXFP1 (0.42) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128299 0.82 KDM4E (0.37) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128585 0.81 RXFP1 (0.36) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128621 0.80 RXFP1 (0.48) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128596 0.79 SMN1; SMN2 (0.43) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128590 0.78 RXFP1 (0.38) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128577 0.78 ALDH1A1 (0.40) RXFP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10128605 0.78 ALDH1A1 (0.43) RXFP1NPC1RAB9ASMN1; SMN2TSHR

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 4 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
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 RXFP1 3981/4885NPC1 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.