SCHEMBL4268582

SCHEMBL4268582

COc1ccnc(C(=O)Sc2nc3cc(OC(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 11/20 0.48
▸ ATP4B P51164 11/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SLC22A2 O15244 1/20 0.48
▸ DDAH1 O94760 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ FASN P49327 1/20 0.48
▸ SLC47A2 Q86VL8 1/20 0.48
▸ SLC47A1 Q96FL8 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ ATP1A1 P05023 6/20 0.42
▸ ATP1B1 P05026 6/20 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
SCHEMBL4272228 0.90 ENPP1 (0.41) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL28580711 0.82 ATP4A (0.47) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL29694095 0.80 ATP4A (0.55) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL537800 0.80 ATP4A (0.55) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL13645620 0.76 ATP4A (0.49) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL23988389 0.76 ATP4A (0.58) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL3179008 0.76 ATP4A (0.51) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL3177079 0.75 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL3170087 0.75 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4ALDH1A1
SCHEMBL3170408 0.75 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605268-B2 Process for the preparation of pyridine compounds DIPHARMA FRANCIS S.R.L. (IT) 2009-10-20 — — US disclosed
US-20070249662-A1 PROCESS FOR THE PREPARATION OF PYRIDINE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2007-10-25 — — US disclosed
EP-1847538-A1 A process for the preparation of pyridine compounds Dipharma Francis S.r.l. (IT) 2007-10-24 — — EP 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-20070249662-A1 PROCESS FOR THE PREPARATION OF PYRIDINE COMPOUNDS RARB, RXRB, RARA ATP4A 2764/4885ATP4B 1258/4885CYP2C9 347/4885

“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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