SCHEMBL3970664

SCHEMBL3970664

COc1ccc(-c2ccc(/C=N\Cc3ccccc3)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
SHBG P04278 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3970668 1.00 SMN1; SMN2 (0.45) SMN1; SMN2SHBGRAB9AALDH1A1MAPT
SCHEMBL3975568 0.78 POLB (0.48) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL3975567 0.78 POLB (0.48) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL3924409 0.77 MAPT (0.57) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL8543783 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
Water SCHEMBL8845490 0.75 MAPT (0.56) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL6124203 0.75 G6PC1 (0.51) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL8543996 0.74 G6PC1 (0.60) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL11984337 0.74 G6PC1 (0.60) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL3972358 0.74 MAPT (0.57) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 SMN1; SMN2 4625/4885SHBG 257/4885RAB9A 3094/4885

“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.