SCHEMBL648465

SCHEMBL648465

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 13/20 0.35
CA12 O43570 12/20 0.35
CA1 P00915 12/20 0.35
CA4 P22748 4/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CA9 Q16790 1/20 0.34
CRHR1 P34998 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL651053 0.92 CA2 (0.40) RORCCA2CA12CA1CA4
SCHEMBL648095 0.86 LPAR1 (0.40) KMT2A
SCHEMBL648120 0.85 SMPD1 (0.38) KMT2AALDH1A1MEN1CRHR1SMN1; SMN2
SCHEMBL650477 0.85 KMT2A (0.34) KMT2AMEN1CRHR1SMN1; SMN2
SCHEMBL649425 0.84 KMT2A (0.37) KMT2A
SCHEMBL652326 0.83 C5AR1 (0.40) CA2CA12CA1USP2ALDH1A1
SCHEMBL1913069 0.82 CA2 (0.43) RORCCA2CA12CA1CA4
SCHEMBL1913104 0.81 C5AR1 (0.42) KMT2AALDH1A1MEN1CRHR1SMN1; SMN2
SCHEMBL650154 0.80 KMT2A (0.39) KMT2AALDH1A1MEN1CRHR1SMN1; SMN2
SCHEMBL648912 0.80 KMT2A (0.37) KMT2AMEN1CRHR1

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP claimed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP claimed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 RORC 767/4885KMT2A 4753/4885CA2 1885/4885

“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.