SCHEMBL509459

SCHEMBL509459

N#Cc1ccc(CNCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2A6 P11509 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL29912750 0.88 LOXL2 (0.65) LOXL2CA12CA1CA2CA4
SCHEMBL29038910 0.87 SCN8A (0.54) LOXL2CA12CA1CA2CA4
SCHEMBL7050164 0.84 LOXL2 (0.61) LOXL2CA12CA1CA2CA4
SCHEMBL23879203 0.83 LOXL2 (0.71) LOXL2CA12CA1CA2CA4
SCHEMBL1625535 0.83 SMN1; SMN2 (0.64) SMN1; SMN2PDCD1CD274ALDH1A1TSHR
SCHEMBL25389992 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL27596087 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL23145766 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL15831741 0.81 LOXL2 (0.62) LOXL2CA12CA1CA2CA4
SCHEMBL20535131 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PDCD1CD274ALDH1A1TSHR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2025-06-26 US disclosed
EP-4490136-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE University of Copenhagen (DK) 2025-01-15 EP disclosed
WO-2023170164-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF A SYMMETRICAL DIENE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
WO-2023170174-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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 (4 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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 LOXL2 4777/4885CA12 4873/4885CA1 4751/4885
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE ALDH3A1, SQLE, DUOX1 LOXL2 615/4885CA12 1655/4885CA1 2955/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD LOXL2 4756/4885CA12 4876/4885CA1 4821/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 LOXL2 4775/4885CA12 4864/4885CA1 4635/4885

“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.