SCHEMBL3753774

SCHEMBL3753774

O=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.40
NOTUM Q6P988 9/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AR P10275 1/20 0.37
GRIN2B Q13224 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHEK2 O96017 2/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL3750086 0.85 KMT2A (0.44) BLMCYP1A2KMT2A
SCHEMBL3745406 0.85 KDM1A (0.42) RORBCTSSCYP1A2KMT2A
SCHEMBL3753481 0.82 RORB (0.46) RORBNOTUM
SCHEMBL3747547 0.81 MEN1 (0.40) CYP1A2CHEK2KMT2A
SCHEMBL3752590 0.81 KMO (0.38) KMT2A
SCHEMBL8218294 0.81 LMNA (0.46) CYP1A2KMT2A
SCHEMBL3753486 0.81 XDH (0.41) CTSSCTSKCYP1A2
SCHEMBL3747251 0.79 NOTUM (0.48) NOTUMCTSSCTSKGRIN2BCYP1A2
SCHEMBL3752842 0.78 ALDH1A1 (0.40) KMT2A
SCHEMBL3752847 0.76 ALDH1A1 (0.39) CYP1A2

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 RORB 3281/4885NOTUM 1186/4885CTSS 4422/4885

“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.