SCHEMBL77083

SCHEMBL77083

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
SCHEMBL29580441 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 88 patents — showing the first 20. 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
US-20240376059-A1 Compounds for the Treatment of Alzheimer's Disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2024-11-14 US disclosed
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11939302-B2 Compounds for the treatment of Alzheimer's disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2024-03-26 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
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
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
EP-0960103-A1 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-12-01 EP disclosed
US-5948797-A ANTITUMOR AGENT RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-09-07 US disclosed
WO-1998031673-A9 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) 1998-12-10 WO disclosed
US-5807874-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-09-15 US disclosed
WO-1998031673-A1 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-07-23 WO disclosed
US-5770617-A Terbenzimidazoles useful as antifungal agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-23 US disclosed
US-5767142-A INHIBITION OF MAMMALIAN TUMOR CELL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-16 US disclosed
EP-0839140-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-05-06 EP disclosed
WO-1996036612-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1996-11-21 WO disclosed
US-4297362-A 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic STERLING DRUG INC. (US) 1981-10-27 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 (5 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-20240376059-A1 Compounds for the Treatment of Alzheimer's Disease IAPP, GPR119, APP TDP1 1690/4885MAPT 80/4885MEN1 1321/4885
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
US-11939302-B2 Compounds for the treatment of Alzheimer's disease IAPP, GPR119, APP TDP1 1690/4885MAPT 80/4885MEN1 1321/4885

“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.