Sugi Predict

Sugi Predict / Compounds / SCHEMBL19459262

SCHEMBL19459262

SCHEMBL19459262

COc1ccc(N=[N+]=[N-])c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ GAA P10253 1/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36

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
SCHEMBL17107803 0.81 CYP1B1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17260091 0.80 HSP90AA1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18584833 0.78 CA12 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30732444 0.78 CA12 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21594218 0.76 MEN1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18490087 0.76 CYP1A2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17133373 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4133933 0.76 KDM4E (0.42) GAACA12CA1CA2CA7
SCHEMBL29506804 0.76 NPC1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26870421 0.76 NPC1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884648-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2024-01-30 — — US disclosed
CN-109311822-B Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2022-09-02 — — CN disclosed
CN-114478409-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2022-05-13 — — CN disclosed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 — — EP disclosed
US-20210139460-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-13 — — US disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 — — US disclosed
US-10870634-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-12-22 — — US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 — — EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 — — CN disclosed
US-20200216420-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-07-09 — — US disclosed
US-10654830-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-19 — — US disclosed
US-20190055221-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-02-21 — — US disclosed
CN-109311822-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2019-02-05 — — CN disclosed
US-10150754-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-12-11 — — US disclosed
WO-2017184491-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-26 — — WO disclosed
US-20170298044-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 — — 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 (9 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-20170298044-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-10150754-B2 Histone demethylase inhibitors DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-10870634-B2 Histone demethylase inhibitors DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-10654830-B2 Histone demethylase inhibitors DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-20210139460-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 TUBB4A 1329/4885TUBB 744/4885TUBA3C 1454/4885
US-11884648-B2 Histone demethylase inhibitors DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-20200216420-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885
US-20190055221-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A TUBB4A 2870/4885TUBB 2298/4885TUBA3C 2524/4885

“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.