SCHEMBL18242518

SCHEMBL18242518

[O]c1c(F)ccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTR2B P41595 3/20 0.39
HTR7 P34969 2/20 0.39
SRD5A2 P31213 1/20 0.39
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
PGR P06401 1/20 0.37
HTR2C P28335 2/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL9811068 0.81 PNMT (0.46) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL18243161 0.78 NPC1 (0.45) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL30089730 0.78 PNMT (0.47) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL8654591 0.78 PNMT (0.43) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL18243593 0.78 PNMT (0.43) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL18242145 0.78 PNMT (0.43) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL18243402 0.78 PNMT (0.43) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL18242827 0.77 PNMT (0.40) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL22263591 0.77 PNMT (0.57) PNMTNPC1RAB9AMAOAALDH1A1
SCHEMBL29090328 0.76 PNMT (0.46) PNMTNPC1RAB9AMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 PNMT 4500/4885NPC1 3627/4885RAB9A 1800/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PNMT 4500/4885NPC1 3627/4885RAB9A 1800/4885

“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.