SCHEMBL1607866

SCHEMBL1607866

O=C(O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.52
▸ HCAR2 Q8TDS4 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ DDO Q99489 1/20 0.50
▸ SRD5A2 P31213 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CACNA1B Q00975 1/20 0.42

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
SCHEMBL940807 1.00 TP53 (0.55) TP53TDP1HCAR2MEN1KMT2A
Hydrochloric Acid SCHEMBL11722772 0.98 TP53 (0.53) TP53TDP1HCAR2MEN1KMT2A
Hydrochloric Acid SCHEMBL11722776 0.98 TP53 (0.53) TP53TDP1HCAR2MEN1KMT2A
SCHEMBL6086071 0.83 SMN1; SMN2 (0.63) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL11722198 0.83 ALDH1A1 (0.56) TP53MEN1KMT2AALDH1A1POLB
SCHEMBL287220 0.83 ALDH1A1 (0.56) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL11719928 0.81 KMT2A (0.51) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL11725136 0.80 MAPT (0.54) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL23554117 0.79 GSK3B (0.57) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL20524695 0.79 MAPT (0.49) TP53MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011494-A1 CRYSTAL FORM OF PIPERAZINO RING-CONTAINING DERIVATIVE, SALT FORM, PREPARATION METHOD, AND USE 优领医药科技(香港)有限公司 2025-01-16 — — WO disclosed
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 — — WO disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 — — WO disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 — — WO disclosed
EP-4192814-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 — — EP disclosed
EP-4192812-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 — — EP disclosed
WO-2023046158-A1 AZAQUINOLINONE COMPOUND AND MEDICAL USE THEREOF 张文燕 2023-03-30 — — WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 — — WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 — — WO disclosed
WO-2022223025-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-10-27 — — WO disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 — — EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 — — WO 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 TP53 2170/4885TDP1 775/4885HCAR2 1638/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 TP53 2312/4885TDP1 493/4885HCAR2 1297/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 TP53 2170/4885TDP1 775/4885HCAR2 1638/4885

“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.

Send feedback