SCHEMBL17772736

SCHEMBL17772736

Cn1c(=O)c2c(nc(Oc3cccc(CN4CCCCC4)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HIF1A Q16665 2/20 0.65
TSHR P16473 4/20 0.65
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TRPC4 Q9UBN4 2/20 0.60
TRPC5 Q9UL62 2/20 0.60
KCNH2 Q12809 1/20 0.60
POLB P06746 1/20 0.58
ALOX15 P16050 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.57
TRPC1 P48995 1/20 0.55
MAPT P10636 2/20 0.54
DPP4 P27487 1/20 0.54
HSD17B10 Q99714 1/20 0.52
NCOA1 Q15788 1/20 0.52

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
SCHEMBL16079565 0.91 TSHR (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL16079575 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL17772764 0.87 TSHR (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL17772763 0.87 TSHR (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL16079574 0.86 TRPC4 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL16029320 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL16079560 0.85 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL16079561 0.85 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL16031117 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL16030824 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A

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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885SMN1; SMN2 1307/4885MEN1 2331/4885

“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.