SCHEMBL3093740

SCHEMBL3093740

Nc1ccc(NC(=O)C2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ NAMPT P43490 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ HDAC1 Q13547 5/20 0.51
▸ HDAC2 Q92769 5/20 0.51
▸ HDAC3 O15379 3/20 0.51
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ STS P08842 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL23899043 0.88 NAMPT (0.67) NAMPTMEN1KMT2ALMNAPTPN1
SCHEMBL116361 0.88 NAMPT (0.67) NAMPTMEN1KMT2ALMNAPTPN1
SCHEMBL23898941 0.88 NAMPT (0.67) NAMPTMEN1KMT2ALMNAPTPN1
SCHEMBL7869933 0.85 KMT2A (0.58) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL4448787 0.84 PTPN1 (0.71) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL3093727 0.84 CYP2C9 (0.61) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL30799179 0.83 ALDH1A1 (0.55) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL27383392 0.83 ALDH1A1 (0.58) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL13460461 0.83 ALDH1A1 (0.55) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL678484 0.83 PTPN1 (0.74) ALDH1A1NAMPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 — — US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 — — EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 — — WO claimed
WO-2021074251-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2021-04-22 — — WO disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 — — US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 — — EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 — — 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885NAMPT 53/4885MEN1 4230/4885

“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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