SCHEMBL10128741

SCHEMBL10128741

Ic1cccc(-c2cccc(-c3nnc4c5ccccc5ccn34)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.37
PRKDC P78527 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 3/20 0.33
PARP1 P09874 1/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MTOR P42345 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL10128716 0.97 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128736 0.94 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128551 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128730 0.83 MAPT (0.37) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128718 0.82 MAPT (0.41) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL2853941 0.81 POLB (0.47) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL515103 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128731 0.81 MAPT (0.40) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128215 0.80 TUBB4A (0.37) ALDH1A1MAPK1TSHRPRKDCMAPT
SCHEMBL10128559 0.78 BIRC5 (0.39) ALDH1A1TSHRPRKDCMAPTKDM4E

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 ALDH1A1 1032/4885MAPK1 2299/4885TSHR 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.