SCHEMBL717629

SCHEMBL717629

Nc1ccc(-c2cncnc2)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
TDP1 Q9NUW8 4/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
POLB P06746 2/20 0.73
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 2/20 0.50
ERN1 O75460 1/20 0.49
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GALR3 O60755 1/20 0.45
THRB P10828 1/20 0.45
DHFR P00374 1/20 0.40
AURKA O14965 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL30474720 1.00 MAPT (0.73) MAPTTDP1MEN1KMT2APOLB
SCHEMBL737722 0.86 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.86 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL77083 0.83 TDP1 (0.67) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29580441 0.83 TDP1 (0.67) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973012 0.82 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973011 0.82 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
SCHEMBL4188218 0.81 MAPT (0.76) MAPTTDP1MEN1KMT2APOLB
SCHEMBL8601406 0.80 MAPT (0.88) MAPTTDP1MEN1KMT2APOLB
SCHEMBL6805433 0.80 ALDH1A1 (0.50) MAPTTDP1MEN1KMT2APOLB

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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 US claimed
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
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 MAPT 4212/4885TDP1 3005/4885MEN1 2170/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 MAPT 2684/4885TDP1 997/4885MEN1 4054/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 MAPT 2829/4885TDP1 846/4885MEN1 3551/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 MAPT 2829/4885TDP1 846/4885MEN1 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.