SCHEMBL19533191

SCHEMBL19533191

O=[N+]([O-])c1ccc(N2CCC=C(N3CCOCC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.52
▸ MAPT P10636 8/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ SIRT6 Q8N6T7 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ IDE P14735 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KCNJ1 P48048 1/20 0.46

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
SCHEMBL85548 0.82 AKR1C3 (0.71) AKR1C3MAPTKDM4EGAABLM
SCHEMBL19533190 0.78 LGMN (0.45) MAPTKDM4EGAAKMT2AALDH1A1
SCHEMBL28298610 0.78 AKR1C3 (0.45) AKR1C3MAPTKDM4EKMT2AALDH1A1
SCHEMBL4383897 0.76 MAPT (0.72) AKR1C3MAPTKDM4EGAABLM
SCHEMBL3682506 0.75 AKR1C3 (0.58) AKR1C3MAPTKDM4EGAABLM
SCHEMBL1995413 0.75 MAPT (0.50) AKR1C3MAPTKDM4EGAABLM
SCHEMBL20709642 0.75 MAPT (0.32) AKR1C3MAPTKDM4EGAABLM
SCHEMBL3693254 0.74 MAPT (0.54) AKR1C3MAPTKDM4EGAABLM
SCHEMBL9647832 0.74 MITF (0.70) AKR1C3MAPTKDM4EGAABLM
SCHEMBL4690699 0.72 MAPT (0.71) AKR1C3MAPTKDM4EKMT2AALDH1A1

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
WO-2018158620-A1 PREPARATION OF ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2018-09-07 — — WO disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — 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-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 AKR1C3 131/4885MAPT 4806/4885KDM4E 2146/4885

“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.

Send feedback