SCHEMBL3324322

SCHEMBL3324322

Cn1nnnc1-c1cc(/C=C/C(=O)O)sc1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TBXAS1 P24557 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ S1PR2 O95136 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL3324327 1.00 NPSR1 (0.39) NPSR1HIF1ARXFP1TBXAS1ALDH1A1
SCHEMBL3329466 0.90 NPSR1 (0.39) NPSR1HIF1ARXFP1ALDH1A1LMNA
SCHEMBL3329462 0.90 NPSR1 (0.39) NPSR1HIF1ARXFP1ALDH1A1LMNA
SCHEMBL3327731 0.80 ESR1 (0.38) TBXAS1ALDH1A1LMNAHTTTSHR
SCHEMBL3327728 0.80 ESR1 (0.38) TBXAS1ALDH1A1LMNAHTTTSHR
SCHEMBL3328430 0.77 TBXAS1 (0.38) TBXAS1ALDH1A1LMNAHTTHRH1
SCHEMBL3328746 0.77 TBXAS1 (0.38) TBXAS1ALDH1A1LMNAHTTHRH1
SCHEMBL3328425 0.77 TBXAS1 (0.38) TBXAS1ALDH1A1LMNAHTTHRH1
SCHEMBL3328544 0.75 ALDH1A1 (0.46) TBXAS1ALDH1A1MAPTUSP2ALOX15
SCHEMBL3328536 0.75 ALDH1A1 (0.46) TBXAS1ALDH1A1MAPTUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 — — US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 — — 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 (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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 NPSR1 376/4885HIF1A 1944/4885RXFP1 2343/4885

“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.

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