SCHEMBL17879342

SCHEMBL17879342

c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.54
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OXTR P30559 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
AVPR2 P30518 1/20 0.43

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
SCHEMBL17879368 0.98 AVPR1A (0.51) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL29362431 0.88 AVPR1A (0.59) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL17536166 0.88 AVPR1A (0.59) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL17951539 0.86 AVPR1A (0.56) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL17879369 0.86 AVPR1A (0.56) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL22417842 0.85 ALDH1A1 (0.41) AVPR1AALDH1A1HPGDSMN1; SMN2OXTR
SCHEMBL30436360 0.82 HDAC6 (0.54) HDAC6
SCHEMBL4243905 0.82 HDAC6 (0.54) HDAC6
SCHEMBL17283218 0.81 ESR1 (0.45) AVPR1AALDH1A1SMN1; SMN2KDM4EHDAC6
SCHEMBL19321543 0.81 TYMS (0.43) AVPR1AALDH1A1HPGDKDM4EHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 EP disclosed
US-10658596-B2 2020-05-19 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA AVPR1A 3302/4885ALDH1A1 269/4885HPGD 919/4885

“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.