SCHEMBL21845145

SCHEMBL21845145

Cc1nc(-c2ccc(OCCCN)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.66
ATP4B P51164 9/20 0.66
GAA P10253 2/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6327086 0.93 ATP4A (0.64) ATP4AATP4BGAARAB9AMAPT
SCHEMBL6329454 0.86 ATP4A (0.57) ATP4AATP4BGAARAB9AMAPT
SCHEMBL19626566 0.85 ATP4A (0.65) ATP4AATP4BGAARAB9AMAPT
SCHEMBL8113094 0.84 ATP4A (0.64) ATP4AATP4BGAARAB9AMAPT
SCHEMBL2809395 0.81 GAA (0.74) ATP4AATP4BGAARAB9AMAPT
SCHEMBL727280 0.80 PRMT1 (0.58) ATP4AATP4B
SCHEMBL10656922 0.80 ATP4A (1.00) ATP4AATP4B
SCHEMBL10459082 0.79 ATP4A (0.56) ATP4AATP4BGAARAB9AMAPT
SCHEMBL6336181 0.77 MAPT (0.49) ATP4AATP4BRAB9AMAPTMEN1
SCHEMBL10457438 0.77 ATP4A (0.56) ATP4AATP4BGAARAB9ANPC1

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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 ATP4A 945/4885ATP4B 2031/4885GAA 237/4885

“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.