SCHEMBL17201780

SCHEMBL17201780

O=S(=O)(Nc1cccnc1)c1ccccc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR6 P50406 4/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALPL P05186 3/20 0.45
ROCK1 Q13464 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4844922 0.86 HTR6 (0.62) HTR6
SCHEMBL18553780 0.79 HTR6 (0.64) ALDH1A1HTR6KMT2AMEN1POLB
SCHEMBL29978507 0.75 GFER (0.48) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL23043636 0.75 GFER (0.48) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL28211335 0.75 RYR2 (0.50) ALDH1A1TP53TDP1KMT2AMEN1
SCHEMBL15916656 0.74 KMT2A (0.70) ALDH1A1TP53TDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL28210781 0.74 RYR2 (0.49) ALDH1A1TP53TDP1KMT2AMEN1
SCHEMBL18553769 0.74 HTR6 (0.54) ALDH1A1HTR6KMT2AMEN1HTT
SCHEMBL112712 0.73 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL31368924 0.72 ALDH1A1 (1.00) ALDH1A1TP53TDP1KMT2AMEN1

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-20150307501-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders BAYLOR COLLEGE OF MEDICINE (US) 2015-10-29 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-20150307501-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders FABP4, LIPC, PC ALDH1A1 1331/4885TP53 3474/4885TDP1 3526/4885

“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.