SCHEMBL10144550

SCHEMBL10144550

N#CC(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
MAPT P10636 3/20 1.00
HPGD P15428 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
RECQL P46063 2/20 1.00
EGFR P00533 4/20 0.68
LMNA P02545 3/20 0.68
CYP2C9 P11712 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CYP3A4 P08684 2/20 0.68
BLM P54132 2/20 0.68
HSD17B10 Q99714 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
CYP1A2 P05177 1/20 0.68
POLB P06746 1/20 0.68
FTO Q9C0B1 5/20 0.65
RGS12 O14924 1/20 0.64
USP2 O75604 1/20 0.64
TP53 P04637 1/20 0.64

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
SCHEMBL31618898 1.00 ALDH1A1 (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11202635 0.92 ALDH1A1 (0.85) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10144274 0.91 ALDH1A1 (0.84) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8848281 0.82 FTO (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8848276 0.82 FTO (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8848272 0.82 FTO (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20100865 0.82 FTO (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4940498 0.81 FTO (0.73) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15920344 0.81 FTO (0.73) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20100868 0.81 FTO (0.73) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616733-B2 XBP1, CD138, and CS1 peptides, pharmaceutical compositions that include the peptides, and methods of using such peptides and compositions DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-05 US disclosed
US-20260041767-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES UNIV HOKKAIDO NAT UNIV CORP (JP) 2026-02-12 US disclosed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-20250290915-A1 METHOD FOR PREDICTING RESPONSIVENESS TO THERAPY Cancertain Limited (GB) 2025-09-18 US disclosed
US-12359208-B2 Thermal control of T-cell immunotherapy through molecular and physical actuation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-07-15 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
EP-4565684-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES National University Corporation Hokkaido University (JP) 2025-06-11 EP disclosed
WO-2025106862-A1 METHODS OF TREATING KIT POSITIVE CANCERS WITH A MENIN INHIBITOR KURA ONCOLOGY, INC. (US) 2025-05-22 WO disclosed
EP-4515230-A2 METHOD FOR PREDICTING RESPONSIVENESS TO THERAPY Cancertain Limited (GB) 2025-03-05 EP disclosed
US-12220423-B2 Compounds, derivatives, and analogs for cancer HYGIA PHARMACEUTICALS, LLC (US) 2025-02-11 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
WO-2022212005-A2 ACOUSTIC REMOTE CONTROL OF MICROBIAL IMMUNOTHERAPY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-06 WO disclosed
US-20220290162-A1 ACOUSTIC REMOTE CONTROL OF MICROBIAL IMMUNOTHERAPY CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-09-15 US disclosed
US-20220280519-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-09-08 US disclosed
WO-2022125590-A1 A SYNTHETIC CIRCUIT FOR CELLULAR MULTISTABILITY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-16 WO disclosed
US-20220177911-A1 SYNTHETIC CIRCUIT FOR CELLULAR MULTISTABILITY CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-09 US disclosed
US-20220064666-A1 SYNTHETIC MAMMALIAN SIGNALING CIRCUITS FOR ROBUST CELL POPULATION CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-03-03 US disclosed
US-20180179594-A1 MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF PARKINSON'S INSTITUTE 2018-06-28 US disclosed
US-20180179594-A1 MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF PARKINSON'S INSTITUTE 2018-06-28 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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 (8 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-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT ALDH1A1 379/4885MAPT 4222/4885HPGD 958/4885
US-20260041767-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES TFAM, FIS1, TUFM ALDH1A1 4231/4885MAPT 655/4885HPGD 3561/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT ALDH1A1 379/4885MAPT 4222/4885HPGD 958/4885
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 ALDH1A1 1572/4885MAPT 3699/4885HPGD 1017/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT ALDH1A1 379/4885MAPT 4222/4885HPGD 958/4885
US-12616733-B2 XBP1, CD138, and CS1 peptides, pharmaceutical compositions that include the peptides, and methods of using such peptides and compositions XBP1, MCL1, CD81 ALDH1A1 4207/4885MAPT 2741/4885HPGD 4656/4885
US-12220423-B2 Compounds, derivatives, and analogs for cancer KRAS, PIK3CA, PIK3CD ALDH1A1 2145/4885MAPT 4805/4885HPGD 1768/4885
US-20220280519-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES MCL1, MPL, BCL9 ALDH1A1 1620/4885MAPT 4865/4885HPGD 489/4885

“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.