SCHEMBL308258

SCHEMBL308258

CCn1nc(C)c2cc(C(=O)O)sc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.54
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
HPGD P15428 5/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 4/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
RXFP1 Q9HBX9 1/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL31327040 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31327134 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4515394 0.82 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31327051 0.80 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1520694 0.80 PIM3 (0.74) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL733174 0.79 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4499362 0.78 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL853240 0.74 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL854823 0.71 PDE7A (0.67)
SCHEMBL23494044 0.71 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 KDM4E 4093/4885ALDH1A1 901/4885SMN1; SMN2 3753/4885

“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.