SCHEMBL3754265

SCHEMBL3754265

O=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSA P10619 1/20 0.38
DHODH Q02127 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
RORC P51449 1/20 0.36
AR P10275 1/20 0.36
RORB Q92753 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
SCHEMBL3757232 0.91 ALDH1A1 (0.42) ALDH1A1L3MBTL1CTSAKDM4EHPGD
SCHEMBL3752534 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1CTSAMAPTNPSR1
SCHEMBL3752012 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1DHODH
SCHEMBL3752748 0.82 CTSA (0.38) CTSARORC
SCHEMBL3747394 0.82 KMO (0.39) CTSADHODHHPGDLMNANPSR1
SCHEMBL3759878 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL3749684 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1CTSAKDM4EHPGD
SCHEMBL830844 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHPGDMAPT
SCHEMBL3747590 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1DHODHKDM4EHPGD
SCHEMBL833331 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885L3MBTL1 2518/4885CTSA 2639/4885

“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.