SCHEMBL4897180

SCHEMBL4897180

NC(=O)c1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.75
GAA P10253 5/20 0.63
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 4/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
POLB P06746 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PARP1 P09874 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GFER P55789 2/20 0.50

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
SCHEMBL425101 0.86 PTGS2 (1.00) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9785877 0.85 PTGS2 (0.81) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9017504 0.84 PTGS2 (0.96) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Bromide SCHEMBL20984745 0.82 PTGS2 (0.70) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28137918 0.82 PTGS2 (0.70) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11783307 0.81 PTGS2 (0.86) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9829474 0.81 PTGS2 (0.75) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7040726 0.81 PTGS2 (1.00) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL3071477 0.81 PLAU (0.72) ALDH1A1KDM4EMAPTPOLBTDP1
SCHEMBL4747482 0.81 PTGS2 (0.68) PTGS2GAAALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 PTGS2 604/4885GAA 4547/4885ALDH1A1 1359/4885

“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.