SCHEMBL3308030

SCHEMBL3308030

COc1ccc([N+](=O)[O-])c(N)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 3/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
Hydrochloric Acid SCHEMBL25313666 0.98 ALDH1A1 (0.47) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL626589 0.84 ALDH1A1 (0.53) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL29524625 0.84 ALDH1A1 (0.53) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL9820288 0.84 TDP1 (0.53) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL31047331 0.84 TDP1 (0.53) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL30897281 0.82 NPC1 (0.44) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL633461 0.81 ALDH1A1 (0.50) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2549695 0.81 ALDH1A1 (0.50) TDP1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL7351987 0.81 TDP1 (0.50) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL32670661 0.81 TDP1 (0.50) TDP1ALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
EP-4225741-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
WO-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 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 (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-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B TDP1 2016/4885ALDH1A1 4628/4885HTT 1449/4885
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR TDP1 1977/4885ALDH1A1 1355/4885HTT 4244/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT TDP1 960/4885ALDH1A1 260/4885HTT 3044/4885

“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.