SCHEMBL470074

SCHEMBL470074

CSc1cccc(O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ LMNA P02545 6/20 0.36
▸ ALOX15 P16050 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ EGFR P00533 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ FYN P06241 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP8 P22894 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
SCHEMBL12584128 0.79 MEN1 (0.37) LMNAALOX15HPGDHSD17B10MAPT
SCHEMBL28338819 0.77 ALDH1A1 (0.36) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL29722828 0.76 CES2 (0.38) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL2834212 0.76 ALDH1A1 (0.52) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL775593 0.76 CES2 (0.38) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL31550782 0.76 ALDH1A1 (0.52) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL337809 0.75 — —
SCHEMBL29368735 0.75 — —
SCHEMBL9810705 0.74 ALOX15 (0.38) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL1145218 0.74 ACHE (0.39) LMNAALDH1A1CA2TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171417-B1 METHODS FOR PREPARING 3-ARYLOXY-3-ARYLPROPYLAMINES AND INTERMEDIATES THEREOF LILLY CO ELI (US) 2005-11-09 — — EP claimed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 — — US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 — — US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 — — WO disclosed
EP-2383245-A2 Method for continuous oxidation of thioethers Bayer Technology Services GmbH (DE) 2011-11-02 — — EP disclosed
WO-2007009146-A1 SUBSTITUTED 1-PHENYL IMIDAZOLES AS COX-I INHIBITORS Universität Wien (AT) 2007-01-25 — — 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-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 ADRB1 3715/4885ADRA2A 4166/4885ADRB3 3744/4885

“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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