SCHEMBL889663

SCHEMBL889663

Cc1cccc2c1oc1c(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.48
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
OXTR P30559 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRD1 P41143 1/20 0.38
AVPR2 P30518 1/20 0.38

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
SCHEMBL889737 0.93 AVPR1A (0.50) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889719 0.86 ALOX5 (0.49) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889809 0.85 SMN1; SMN2 (0.47) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889875 0.85 ALOX5 (0.48) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889725 0.85 ALOX5 (0.48) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889676 0.84 ALOX5 (0.47) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL9917225 0.83 ADORA3 (0.49) HPGDSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL889746 0.83 ALOX5 (0.49) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL889750 0.82 ALOX5 (0.46) AVPR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL12349356 0.82 ESR1 (0.47) ALDH1A1CYP2C9CYP2C19RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-11-24 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 (3 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-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 AVPR1A 839/4885HPGD 2094/4885SMN1; SMN2 4709/4885
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 AVPR1A 844/4885HPGD 1989/4885SMN1; SMN2 4747/4885
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 AVPR1A 839/4885HPGD 2094/4885SMN1; SMN2 4709/4885

“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.