SCHEMBL1912787

SCHEMBL1912787

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1COS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
C5AR1 P21730 1/20 0.41
NR1H3 Q13133 1/20 0.40
PDE4B Q07343 1/20 0.39
FAAH O00519 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
HSF1 Q00613 1/20 0.36

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
SCHEMBL1912764 0.86 TSHR (0.44) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL648785 0.78 TSHR (0.56) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL650144 0.78 TSHR (0.52) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL652463 0.76 C5AR1 (0.41) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL650439 0.76 FAAH (0.48) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL651094 0.76 TSHR (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL649593 0.75 TSHR (0.52) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5071460 0.75 TSHR (0.63) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL650694 0.74 TSHR (0.51) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5137883 0.74 TSHR (0.48) TSHRKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 TSHR 326/4885KDM4E 2551/4885ALDH1A1 3370/4885

“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.