SCHEMBL21768134

SCHEMBL21768134

COCCOc1cccc(NC(=O)c2ccc(O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
PKM P14618 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NLRP3 Q96P20 1/20 0.57
MAPK1 P28482 1/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
MAOB P27338 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NR1H4 Q96RI1 5/20 0.54

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
SCHEMBL21768090 0.86 HTT (0.65) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28901205 0.85 MAPK1 (0.58) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5182631 0.82 THRB (0.64) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21845068 0.81 ALDH1A1 (0.56) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3460612 0.79 TP53 (0.54) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10055020 0.78 NPC1 (0.94) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL21845069 0.78 MAOB (0.56) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21780059 0.78 MAOB (0.56) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL196100 0.78 NPC1 (0.75) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL729117 0.78 KCNK3 (0.71) NPC1RAB9AKMT2ATP53MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
CN-110352188-A Fluoro allylamine derivatives and application thereof 四川科伦博泰生物医药股份有限公司 2019-10-18 CN 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 THRB 1623/4885NPC1 171/4885RAB9A 1093/4885

“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.