SCHEMBL1912781

SCHEMBL1912781

CCCCn1c(-c2ccccc2)nc(C#N)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
NR1H3 Q13133 1/20 0.42
PDE4B Q07343 2/20 0.40
GRK6 P43250 1/20 0.39
ADORA2B P29275 1/20 0.38
TP53 P04637 2/20 0.38
HSD11B1 P28845 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
KMT2A Q03164 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL1912807 0.82 TSHR (0.55) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1912766 0.79 TSHR (0.51) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1912773 0.78 TSHR (0.50) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL647666 0.76 TSHR (0.48) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL650017 0.69 TSHR (0.56) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18152809 0.69 TSHR (0.65) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL649593 0.69 TSHR (0.52) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1912820 0.69 TSHR (0.49) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11092583 0.68 TSHR (0.51) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5071460 0.68 TSHR (0.63) TSHRALDH1A1HPGDKDM4EHSD17B10

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 6 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-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 326/4885ALDH1A1 3370/4885HPGD 1577/4885

“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.