SCHEMBL20799671

SCHEMBL20799671

CC(CC(=O)N[C@H](C)c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20799678 0.82 NPC1 (0.42) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL19146641 0.79 SMN1; SMN2 (0.42) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20799656 0.78 HPGD (0.41) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20799682 0.77 HRH4 (0.39) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL23952237 0.75 SMN1; SMN2 (0.55) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL21581187 0.75 SMN1; SMN2 (0.42) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20799674 0.75 PRCP (0.35) SMN1; SMN2MMP1MMP3MMP7KDM4E
SCHEMBL20559809 0.74 LPAR2 (0.39) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL20558836 0.74 LPAR2 (0.39) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL20558839 0.74 LPAR2 (0.39) ALDH1A1HTTSMN1; SMN2KDM4EMAPT

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-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 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-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E ALDH1A1 3220/4885NPC1 3072/4885HTT 2373/4885

“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.