SCHEMBL29580441

SCHEMBL29580441

Nc1ccc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 1/20 0.67
NPSR1 Q6W5P4 1/20 0.56
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2A6 P11509 2/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL77083 1.00 TDP1 (0.67) TDP1MAPTMEN1POLBKMT2A
SCHEMBL1663904 0.86 CYP11B1 (0.57) MEN1CYP11B1CYP11B2PSIP1AXL
SCHEMBL222287 0.84 CYP11B1 (0.55) TDP1MAPTMEN1POLBKMT2A
SCHEMBL30474720 0.83 MAPT (0.73) TDP1MAPTMEN1POLBKMT2A
SCHEMBL717629 0.83 MAPT (0.73) TDP1MAPTMEN1POLBKMT2A
SCHEMBL4704336 0.82 ERN1 (0.56) MAPTCYP11B1CYP11B2MKNK1MKNK2
SCHEMBL2377563 0.82 DAPK3 (0.56) MAPTMEN1KMT2ACYP11B1CYP11B2
SCHEMBL1980117 0.82 CYP11B1 (0.51) MAPTMEN1CYP11B1CYP11B2PSIP1
Hydrochloric Acid SCHEMBL3973011 0.82 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973012 0.82 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
EP-4232438-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE The Governors of the University of Alberta (CA) 2023-08-30 EP disclosed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 TDP1 997/4885MAPT 2684/4885MEN1 4054/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 TDP1 846/4885MAPT 2829/4885MEN1 3551/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 TDP1 846/4885MAPT 2829/4885MEN1 3551/4885

“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.