SCHEMBL13575331

SCHEMBL13575331

O=c1c(Br)cccn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
COMT P21964 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4215949 0.82 ALDH1A1 (0.43) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL15803829 0.75 SMN1; SMN2 (0.50) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL30228908 0.75 ATM (0.47) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL747392 0.75 NOTUM (0.47) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL3974215 0.73 MAPT (0.49) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL27939854 0.73 ATM (0.48) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL3963253 0.72 ATM (0.44) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL1137068 0.72 KDM4E (0.54) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL16256868 0.72 ATM (0.58) ATMDDB1CRBNALDH1A1MAPT
SCHEMBL14924749 0.72 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 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 (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ATM 588/4885DDB1 892/4885CRBN 3059/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ATM 588/4885DDB1 892/4885CRBN 3059/4885

“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.