SCHEMBL25801604

SCHEMBL25801604

N=C(NO)c1ccc(N2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.62
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TMPRSS6 Q8IU80 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALOX15 P16050 4/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4404636 0.98 HDAC6 (0.61) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL14174283 0.92 F2 (0.59) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL4399809 0.85 HDAC6 (0.55) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL2462688 0.82 F2 (0.44) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL14160411 0.80 F2 (0.50) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL13094252 0.77 F2 (0.47) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL31424925 0.77 HDAC6 (1.00) HDAC6MAPTALDH1A1L3MBTL1ALOX15
SCHEMBL8106249 0.76 F2 (0.89) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL12348299 0.76 HSD17B10 (0.36) HDAC6F2PRSS1PRSS2PRSS3
SCHEMBL13094258 0.74 F2 (0.57) HDAC6F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 HDAC6 1265/4885F2 881/4885PRSS1 2356/4885

“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.