SCHEMBL1900175

SCHEMBL1900175

O=C(NCc1ccco1)c1[c]cccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
POLB P06746 6/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
SGMS2 Q8NHU3 1/20 0.51

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
SCHEMBL3095669 0.78 ALDH1A1 (0.70) HPGDPOLBMAPTHTTSMN1; SMN2
SCHEMBL1900364 0.78 KMT2A (0.54) HPGDSMN1; SMN2TSHRTP53RAB9A
SCHEMBL1490952 0.76 HPGD (0.76) HPGDPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL1901528 0.76 TDP1 (0.68) HPGDPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL24575916 0.73 EPHX2 (0.83) HPGDPOLBMAPTHTTALDH1A1
SCHEMBL18415483 0.73 POLB (0.77) HPGDPOLBMAPTHTTSMN1; SMN2
SCHEMBL14694017 0.73 ALDH1A1 (0.66) HPGDPOLBMAPTHTTSMN1; SMN2
SCHEMBL14338388 0.73 POLB (0.60) HPGDPOLBMAPTHTTSMN1; SMN2
SCHEMBL28572368 0.73 ALDH1A1 (0.62) HPGDPOLBHTTSMN1; SMN2ALDH1A1
SCHEMBL12172824 0.73 NPSR1 (0.72) HPGDPOLBMAPTHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 HPGD 2353/4885POLB 4428/4885MAPT 90/4885

“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.