SCHEMBL3077691

SCHEMBL3077691

COc1cc(N2CCN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)CC2)c(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 4/20 0.52
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KMO O15229 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3080138 0.88 MEN1 (0.48) KMT2AMEN1POLBLMNAMAPT
SCHEMBL3080134 0.88 MEN1 (0.48) KMT2AMEN1POLBLMNAMAPT
SCHEMBL3076768 0.85 MEN1 (0.63) KMT2AMEN1POLBLMNAMAPT
SCHEMBL3067299 0.85 MEN1 (0.45) KMT2AMEN1POLBLMNAMAPT
SCHEMBL3078169 0.83 KDM4E (0.46) KMT2AMEN1POLBLMNATP53
SCHEMBL3057788 0.80 CCR1 (0.53) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL3066554 0.78 CCR1 (0.55) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL3076604 0.78 MEN1 (0.57) KMT2AMEN1MAOAMAOB
SCHEMBL3057616 0.78 KMT2A (0.58) KMT2AMEN1POLBLMNAMAPT
SCHEMBL3076494 0.78 CCR1 (0.54) KMT2AMEN1POLBLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 KMT2A 4350/4885MEN1 3626/4885POLB 2917/4885

“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.