SCHEMBL2985382

SCHEMBL2985382

Cc1c(Cl)cccc1N1CNCC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
HCAR1 Q9BXC0 2/20 0.41
P2RX7 Q99572 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
Acetic Acid SCHEMBL2981956 0.93 RECQL (0.48) RECQLHCAR1P2RX7MEN1KMT2A
SCHEMBL13664823 0.82 SLC6A2 (0.53) RECQLHCAR1P2RX7MEN1KMT2A
SCHEMBL13664745 0.79 SLC6A2 (0.55) RECQLHCAR1P2RX7MEN1KMT2A
SCHEMBL1814949 0.68 ADRB1 (0.56) P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL15761176 0.68 RECQL (0.45) RECQLHCAR1P2RX7GAAALOX15
SCHEMBL24473740 0.68 MAPT (0.68) RECQLMEN1KMT2AGAAALOX15
SCHEMBL30505324 0.68 MAPT (0.68) RECQLMEN1KMT2AGAAALOX15
SCHEMBL1077363 0.67 ADRB1 (0.70) SLC6A2
SCHEMBL3658673 0.67 P2RX7 (0.42) P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL30910322 0.67 NPC1 (0.54) RECQLP2RX7MEN1KMT2AGAA

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 13 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-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
US-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
US-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2008-10-30 US disclosed
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2008-10-30 US disclosed
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2008-10-30 US 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
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 (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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 RECQL 3463/4885HCAR1 13/4885P2RX7 597/4885
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR4 RECQL 3736/4885HCAR1 27/4885P2RX7 694/4885

“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.