SCHEMBL2903922

SCHEMBL2903922

O=C1c2ccccc2C(=O)N1Cc1c(Br)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL11304272 0.76 CYP1B1 (0.48) CYP1B1CASP3ALDH1A1MAPTUSP2
SCHEMBL3077626 0.74 PTPN1 (0.46) ALDH1A1TSHR
SCHEMBL9113894 0.73 MAPT (0.44) NPSR1CASP3ALDH1A1MAPTHPGD
SCHEMBL1751922 0.72 ALDH1A1 (0.57) NPSR1ALDH1A1MAPTTSHRMEN1
SCHEMBL595563 0.71 PLK1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL31499095 0.71 PLK1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL26837593 0.70 PLK1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL595885 0.70 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL10008041 0.68 ALDH1A1 (0.47) CYP1B1CASP3ALDH1A1MAPTSMN1; SMN2
SCHEMBL19141485 0.68 CA12 (0.50) CASP3ALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 — — US disclosed
EP-1631561-B1 COMPOSITIONS AND METHODS FOR NON-INVASIVE IMAGING OF SOLUBLE BETA-AMYLOID GEN ELECTRIC (US) 2010-08-18 — — EP disclosed
US-7727511-B2 Agents for imaging soluble a-beta GENERAL ELECTRIC COMPANY (US) 2010-06-01 — — US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 — — US disclosed
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-06-21 — — US disclosed
EP-1631561-A2 COMPOSITIONS AND METHODS FOR NON-INVASIVE IMAGING OF SOLUBLE BETA-AMYLOID GENERAL ELECTRIC COMPANY (US) 2006-03-08 — — EP disclosed
WO-2004100998-A2 COMPOSITIONS AND METHODS FOR NON-INVASIVE IMAGING OF SOLUBLE BETA-AMYLOID GENERAL ELECTRIC COMPANY (US) 2004-11-25 — — WO disclosed
US-20040223909-A1 Compositions and methods for non-invasive imaging of soluble beta-amyloid GENERAL ELECTRIC COMPANY 2004-11-11 — — 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 (3 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-20040223909-A1 Compositions and methods for non-invasive imaging of soluble beta-amyloid APP, APBA1, BACE1 CYP1B1 4431/4885NPSR1 897/4885CASP3 2416/4885
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 CYP1B1 4488/4885NPSR1 572/4885CASP3 1637/4885
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 CYP1B1 4673/4885NPSR1 545/4885CASP3 1984/4885

“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.

Send feedback