SCHEMBL3177484

SCHEMBL3177484

Cc1cc(NC(=O)c2ccc3c(c2)CCNC3)nn1Cc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.66
TP53 P04637 1/20 0.49
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
P2RY14 Q15391 1/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAP3K5 Q99683 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL3178665 0.92 PTGER1 (0.64) PTGER1P2RY14LMNAKMT2ASMN1; SMN2
SCHEMBL3180804 0.92 PTGER1 (0.71) PTGER1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL13532614 0.91 PTGER1 (0.59) PTGER1TP53LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3169961 0.90 PTGER1 (0.60) PTGER1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL17804025 0.90 PTGER1 (0.58) PTGER1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL3178649 0.89 PTGER1 (0.57) PTGER1TP53LMNASMN1; SMN2ALDH1A1
SCHEMBL3186310 0.89 PTGER1 (0.63) PTGER1TP53LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3186918 0.88 PTGER1 (0.57) PTGER1TP53MAP3K5
Hydrochloric Acid SCHEMBL3188205 0.88 PTGER1 (0.63) PTGER1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL3178984 0.87 PTGER1 (0.56) PTGER1P2RY14MAP3K5

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-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US claimed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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 (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-20100022486-A1 COMPOUNDS SCD, CYP11B2, SCD5 PTGER1 681/4885TP53 4743/4885HTR2C 1603/4885

“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.