SCHEMBL9980080

SCHEMBL9980080

O=C(Nc1ccccc1Br)Nc1cccc(C(=O)N2CCN3CCCC3C2)c1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.45
CACNA1H O95180 4/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MGLL Q99685 2/20 0.41
TP53BP1 Q12888 1/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14329380 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1TP53CACNA1HKDM4E
SCHEMBL9980051 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1TP53CACNA1HKDM4E
SCHEMBL9980055 0.85 CXCR2 (0.54) L3MBTL3L3MBTL1CACNA1HCXCR1CXCR2
SCHEMBL9979998 0.85 CYP1A2 (0.50) CACNA1HKDM4EALDH1A1TSHRMGLL
SCHEMBL9979996 0.85 CACNA1H (0.49) CACNA1HKDM4EALDH1A1MGLLCXCR2
SCHEMBL30515712 0.85 CACNA1H (0.49) CACNA1HKDM4EALDH1A1MGLLCXCR2
SCHEMBL9980000 0.83 PARP1 (0.42) L3MBTL3L3MBTL1KDM4EALDH1A1CXCR1
SCHEMBL9980054 0.83 CXCR2 (0.56) CACNA1HCXCR2
SCHEMBL9980078 0.83 CXCR2 (0.56) CACNA1HCXCR2
SCHEMBL9980082 0.82 SPR (0.41) L3MBTL3L3MBTL1KDM4EMGLLCXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 L3MBTL3 4814/4885L3MBTL1 4414/4885TP53 652/4885

“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.