SCHEMBL5108972

SCHEMBL5108972

Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
POLB P06746 4/20 0.61
SCN9A Q15858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 3/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 1/20 0.56
NPC1 O15118 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
F2 P00734 1/20 0.53
HTT P42858 1/20 0.53
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL4058495 0.82 RAB9A (0.61) ALDH1A1SMN1; SMN2PKMMAPTNPC1
SCHEMBL3526172 0.81 SETD2 (0.57) POLBSMN1; SMN2NPC1
SCHEMBL21911828 0.77 NPC1 (0.50) ALDH1A1POLBSMN1; SMN2PKMMAPT
SCHEMBL18355035 0.76 SCN9A (0.59) ALDH1A1POLBSCN9ASMN1; SMN2TSHR
SCHEMBL1516967 0.74 MAPK14 (0.48) SCN9A
SCHEMBL4786480 0.73 HDAC6 (0.39) SMN1; SMN2TSHRKMT2AHTT
SCHEMBL5840005 0.73 POLB (0.61) ALDH1A1POLBSMN1; SMN2TSHRCYP2D6
SCHEMBL16566639 0.72 THRB (0.51) SMN1; SMN2MAPTNPC1KMT2ATDP1
SCHEMBL12858836 0.72 MEN1 (0.60) ALDH1A1POLBSMN1; SMN2TSHRPKM
SCHEMBL1710487 0.72 HDAC1 (0.39) ALDH1A1CYP2C9NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 ALDH1A1 661/4885POLB 579/4885SCN9A 3460/4885

“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.