SCHEMBL10128252

SCHEMBL10128252

c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4nnc5c6ccccc6ccn45)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
AVPR1A P37288 1/20 0.38
OXTR P30559 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
PABPC1 P11940 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 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
SCHEMBL10128242 1.00 HSD11B1 (0.38) HSD11B1AVPR1AOXTRPOLBMAPT
SCHEMBL10128240 0.98 KDM4E (0.37) HSD11B1AVPR1AOXTRPOLBMAPT
SCHEMBL10128254 0.98 HSD11B1 (0.37) HSD11B1AVPR1AOXTRPOLBMAPT
SCHEMBL10128260 0.93 TUBB4A (0.36) HSD11B1OXTRMAPTKMT2AALDH1A1
SCHEMBL10128268 0.93 ALDH1A1 (0.42) HSD11B1AVPR1APOLBMAPTKMT2A
SCHEMBL10128259 0.92 HSD11B1 (0.36) HSD11B1AVPR1AOXTRPOLBMAPT
SCHEMBL10128251 0.92 TUBB4A (0.37) HSD11B1MAPTKMT2AALDH1A1RXFP1
SCHEMBL10128244 0.92 AVPR1A (0.39) HSD11B1AVPR1AOXTRPOLBMAPT
SCHEMBL10128264 0.91 ALK (0.37) HSD11B1AVPR1AOXTRMAPTALDH1A1
SCHEMBL10128327 0.91 KDM4E (0.39) HSD11B1AVPR1AOXTRPOLBMAPT

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 HSD11B1 3797/4885AVPR1A 1971/4885OXTR 3076/4885

“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.