SCHEMBL10128816

SCHEMBL10128816

CC1(C)c2ccccc2-c2ccc(-c3cn4c(-c5ccc(I)cc5)nnc4c4ccccc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 4/20 0.32
PDK2 Q15119 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 1/20 0.30
APAF1 O14727 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL10128614 0.89 MAPT (0.33) RXFP1MAPTPDK2TP53POLB
SCHEMBL10128810 0.89 RXFP1 (0.31) RXFP1MAPTPDK2TP53POLB
SCHEMBL10128355 0.85 TUBB4A (0.33) RXFP1POLB
SCHEMBL10128818 0.85 NPC1 (0.30) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10128018 0.82 ALOX5 (0.41)
SCHEMBL10128184 0.82 ALOX5 (0.41)
SCHEMBL10128708 0.80 POLB (0.39) RXFP1MAPTPDK2TP53POLB
SCHEMBL10128819 0.79 RXFP1 (0.48) RXFP1MAPTTP53POLBSMN1; SMN2
SCHEMBL10128781 0.78 NPC1 (0.43) RXFP1MAPTTP53POLBSMN1; SMN2
SCHEMBL10128803 0.78 GSTP1 (0.36) RXFP1MAPTTP53POLBSMN1; SMN2

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 1271/4885PDK2 1100/4885

“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.