SCHEMBL1577580

SCHEMBL1577580

CCCCc1c(C(=O)O)ccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.46
KDM5A P29375 4/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 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
SCHEMBL4954467 0.83 LMNA (0.50) KDM5BKDM5ALMNASMN1; SMN2GABRP
SCHEMBL23674956 0.79 KAT8 (0.44) KDM5BKDM5ASMN1; SMN2GABRPGABRD
SCHEMBL11036114 0.78 GABRP (0.47) KDM5BKDM5ASMN1; SMN2GABRPGABRD
SCHEMBL649610 0.78 AGTR1 (0.42) KDM5BKDM5ALMNASMN1; SMN2GABRP
SCHEMBL28382 0.77 GABRP (0.54) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL28523217 0.77 NOS2 (0.49) KDM5BKDM5AGABRPGABRDGABRA1
SCHEMBL19305015 0.77 SMN1; SMN2 (0.50) KDM5BKDM5ALMNASMN1; SMN2KDM4E
SCHEMBL28129531 0.76 NOS2 (0.50) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL28972443 0.75 ASPH (0.41) KDM5BKDM5ALMNAGABRPGABRD
SCHEMBL679426 0.74 TSHR (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411707-A Substituted phenylimidazopyrazoles and their use Bayer Pharma AG 2015-03-11 CN disclosed
US-8703797-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2014-04-22 US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 US disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 US disclosed
EP-2483245-A1 CONDENSED RING PYRIDINE COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-2 (S1P2) RECEPTORS Allergan, Inc. (US) 2012-08-08 EP disclosed
WO-2011041287-A1 CONDENSED RING PYRIDINE COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-2 (S1P2) RECEPTORS ALLERGAN, INC. (US) 2011-04-07 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-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 KDM5B 1614/4885KDM5A 2124/4885LMNA 1307/4885
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 KDM5B 1614/4885KDM5A 2124/4885LMNA 1307/4885

“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.