Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887591

SCHEMBL4887591

SCHEMBL4887591

Cc1cccc(N)c1C=C(Br)Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.45
▸ CYP3A4 P08684 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ TSHR P16473 4/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ TRPA1 O75762 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL14269556 0.86 CD44 (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL20125046 0.82 CD44 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL16507950 0.80 TDP1 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL4890494 0.76 CD44 (0.45) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2404242 0.76 NFE2L2 (0.35) CYP3A4TDP1TSHRPIK3CAALDH1A1
SCHEMBL16507744 0.76 CD44 (0.41) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL952113 0.73 GABRA1 (0.42) CYP3A4TDP1ALDH1A1HPGDHSD17B10
SCHEMBL954321 0.73 ABCG2 (0.41) CYP3A4TSHRALDH1A1ATMHPGD
SCHEMBL12666967 0.72 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL18967032 0.72 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 — — WO disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 — — WO disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 — — EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 — — 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN CD44 4745/4885CYP3A4 145/4885TDP1 3520/4885

“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.