SCHEMBL10128751

SCHEMBL10128751

CC1(C)c2cc(I)ccc2-c2ccc(-c3nnc4c5ccccc5ccn34)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.32
PRKDC P78527 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPK1 P28482 2/20 0.31
HCRTR1 O43613 1/20 0.31
ALOX15 P16050 1/20 0.31
TUBB4A P04350 1/20 0.31

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
SCHEMBL10128754 0.88 ALDH1A1 (0.32) MAPTALDH1A1PRKDCTUBB4ATUBB
SCHEMBL10128757 0.87 ALDH1A1 (0.32) MAPTALDH1A1PRKDC
SCHEMBL10128563 0.87 MAPT (0.35) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL10128213 0.83 TUBB4A (0.37) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL10128730 0.80 MAPT (0.37) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL10128057 0.80 ALOX5 (0.41) MAPTALDH1A1PRKDCTUBB4ATUBB
SCHEMBL10127904 0.80 ALOX5 (0.41) MAPTALDH1A1PRKDCKDM4ELMNA
SCHEMBL10128718 0.80 MAPT (0.41) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL10128716 0.79 ALDH1A1 (0.39) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL10128731 0.78 MAPT (0.40) MAPTALDH1A1KMT2APRKDCKDM4E

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 MAPT 1271/4885ALDH1A1 1032/4885KMT2A 1074/4885

“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.