Sugi Predict

Sugi Predict / Compounds / SCHEMBL112552

SCHEMBL112552

SCHEMBL112552

COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3C(=O)Nc3cccnc3)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL113253 1.00 LMNA (0.57) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL115046 0.85 LMNA (0.58) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL113246 0.78 GAA (0.52) LMNAGAAMAPTKDM4ENPC1
SCHEMBL112384 0.78 GAA (0.52) LMNAGAAMAPTKDM4ENPC1
SCHEMBL111258 0.78 LMNA (0.51) LMNAGAAALDH1A1MAPTKDM4E
SCHEMBL13075778 0.76 ALDH1A1 (0.49) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL12978269 0.75 LMNA (1.00) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL112923 0.75 SMN1; SMN2 (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL111553 0.75 PKM (0.58) LMNAGAAKMT2AALDH1A1MAPT
SCHEMBL113391 0.75 CHEK1 (0.54) LMNAGAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 — — EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 — — EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 — — US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 — — US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 — — US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 — — EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 — — US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 — — US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 — — 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 LMNA 3677/4885GAA 4030/4885KMT2A 3794/4885

“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.