SCHEMBL10128765

SCHEMBL10128765

CCc1cn2c(-c3ccc(I)cc3)nnc2c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APAF1 O14727 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL10128769 0.90 RXFP1 (0.36) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128770 0.87 HSD11B1 (0.42) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128577 0.86 ALDH1A1 (0.40) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128771 0.86 RXFP1 (0.36) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128758 0.84 RXFP1 (0.42) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128289 0.82 KDM4E (0.37) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128773 0.81 RXFP1 (0.36) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128819 0.80 RXFP1 (0.48) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128781 0.79 NPC1 (0.43) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128767 0.78 RXFP1 (0.38) RXFP1MAPTSMN1; SMN2NPC1RAB9A

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 RXFP1 3981/4885MAPT 1271/4885SMN1; SMN2 4667/4885

“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.