SCHEMBL2116895

SCHEMBL2116895

O=[N+]([O-])c1ccc(F)c(CO)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 2/20 0.43
VCAM1 P19320 1/20 0.41
CASP6 P55212 1/20 0.40
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL29705471 1.00 ATM (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL6583252 0.82 CYP1A2 (0.45) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL31558555 0.82 CYP1A2 (0.45) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL25341788 0.82 ALDH1A1 (0.42) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL27215196 0.82 TDP1 (0.47) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL15776706 0.82 TDP1 (0.46) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL10058264 0.82 ATM (0.39) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL27215211 0.81 TDP1 (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL18681415 0.81 TDP1 (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL2975400 0.80 ATM (0.40) ATMTDP1ALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF PHARMARON UK LTD. (GB) 2024-05-09 US disclosed
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
WO-2010118852-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 WO 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 ATM 468/4885TDP1 3804/4885ALDH1A1 2718/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ATM 381/4885TDP1 631/4885ALDH1A1 4348/4885
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 ATM 2995/4885TDP1 1382/4885ALDH1A1 4164/4885

“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.