SCHEMBL134457

SCHEMBL134457

N=Nc1cc(N=C=O)ccc1N=C=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
TRPA1 O75762 1/20 0.58
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.34

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
SCHEMBL296391 0.87 CYP3A4 (0.67) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29520218 0.87 CYP3A4 (0.67) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28197163 0.82 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL22111494 0.74 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11878306 0.74 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL7158060 0.73 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL49899 0.73 TDP1 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL14606239 0.73 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9630369 0.73 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL1169221 0.73 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1TSHR

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 564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240181009-A1 SYNTHEKINE COMPOSITIONS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2024-06-06 US disclosed
US-11993645-B2 Compositions comprising R-Spondin (RSPO) surrogate molecules THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-05-28 US disclosed
EP-3515476-B1 FUSION COMPRISING A CELL PENETRATING PEPTIDE, A MULTIEPITOPE AND A TLR PEPTIDE AGONIST FOR TREATMENT OF CANCER AMAL THERAPEUTICS SA (CH) 2024-05-22 EP disclosed
WO-2024091979-A1 CD276 (B7-H3) ANTIBODY-DRUG CONJUGATES BRICKBIO, INC. (US) 2024-05-02 WO disclosed
US-11958891-B2 Tissue-specific Wnt signal enhancing molecules and uses thereof Surrozen Operating, Inc. (US) 2024-04-16 US disclosed
WO-2024064233-A1 NEAR-INFRARED IMAGING AGENT AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2024-03-28 WO disclosed
WO-2024049543-A1 COMPOSITIONS AND METHODS FOR TRANSGLUTAMINASE-MEDIATED ENDOCYTOSIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-07 WO disclosed
EP-3757134-B1 CHLORIDE SALT OF TAT-NR2B9C NONO INC (CA) 2024-03-06 EP disclosed
US-11911438-B2 Chloride salt of TAT-NR2B9C NONO INC. (CA) 2024-02-27 US disclosed
WO-2024040118-A2 CELL TARGETING MULTICOMPONENT POLYPEPTIDE Surrozen Operating, Inc. (US) 2024-02-22 WO disclosed
US-5256413-A Administering a conjugate consisting of monoclonal antibody coupling to tissue plasminogen activator THE GENERAL HOSPITAL CORPORATION (US) 1993-10-26 US disclosed
WO-1992018139-A1 CHIMERIC MOLECULE WITH PLASMINOGEN ACTIVATOR ACTIVITY AND AFFINITY FOR ATHEROSCLEROTIC PLAQUES BRIGHAM AND WOMEN'S HOSPITAL (US) 1992-10-29 WO disclosed
EP-0506884-A1 METHOD OF DELIVERING MOLECULES INTO EUKARYOTIC CELLS. WHITEHEAD BIOMEDICAL INST (US) 1992-10-07 EP disclosed
US-5116613-A Antibody-thrombolytic agent product and method of use THE GENERAL HOSPITAL CORPORATION (US) 1992-05-26 US disclosed
EP-0465556-A1 PLATELET SPECIFIC IMMUNOCONJUGATES. CENTOCOR INC (US) 1992-01-15 EP disclosed
WO-1991009958-A2 METHOD OF DELIVERING MOLECULES INTO EUKARYOTIC CELLS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 1991-07-11 WO disclosed
WO-1990011783-A1 PLATELET SPECIFIC IMMUNOCONJUGATES CENTOCOR, INC. (US) 1990-10-18 WO disclosed
US-4916070-A Fibrin-specific antibodies and method of screening for the antibodies THE GENERAL HOSPITAL CORPORATION (US) 1990-04-10 US disclosed
WO-1987006263-A1 FIBRIN-SPECIFIC ANTIBODIES AND METHOD OF SCREENING FOR THE ANTIBODIES THE GENERAL HOSPITAL CORPORATION (US) 1987-10-22 WO disclosed
EP-0187658-A2 Method and use for site-specific activation of substances THE GENERAL HOSPITAL CORPORATION (US) 1986-07-16 EP 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 (1 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-11911438-B2 Chloride salt of TAT-NR2B9C CHRNA9, SCN9A, GRIN2C CYP3A4 4681/4885TRPA1 380/4885TDP1 2632/4885

“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.