SCHEMBL31478747

SCHEMBL31478747

O=C(CCCCCN1CCOCC1)Nc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.55
HRH1 P35367 1/20 0.55
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 1/20 0.52
ADORA2A P29274 1/20 0.52
TRPV4 Q9HBA0 1/20 0.52
GAA P10253 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
SCHEMBL15480448 0.82 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL15480450 0.82 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL15480447 0.82 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL15480445 0.82 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL15480444 0.80 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL31478767 0.78 CA1 (0.47) SMN1; SMN2LMNAKMT2AGAA
SCHEMBL11224576 0.78 CASR (0.55) MAPTALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL18956497 0.77 HPGD (0.50) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL7934381 0.76 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL8232990 0.76 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US claimed

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI MAPT 3266/4885ALDH1A1 1680/4885HPGD 204/4885

“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.