SCHEMBL16453344

SCHEMBL16453344

CCC(=N)NCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
TP53 P04637 1/20 0.44
ALOX12 P18054 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL14355138 0.80 MEN1 (0.59) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL16216174 0.79 HTR3E (0.49) RAB9ANPC1ALOX12MAPT
Hydrochloric Acid SCHEMBL16372135 0.78 ALOX12 (0.50) MEN1KMT2ACYP2C19ALDH1A1HPGD
Iodide SCHEMBL11389787 0.78 MEN1 (0.52) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL27467998 0.78 GAA (0.49) CYP2C9ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1709315 0.77 HPGD (0.70) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL20825142 0.77 MEN1 (0.55) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL5064965 0.76 MEN1 (0.59) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL4018773 0.76 CYP2C9 (0.66) MEN1KMT2ACYP2C19CYP2C9ALDH1A1
SCHEMBL8895096 0.76 MEN1 (0.59) MEN1KMT2ACYP2C19CYP2C9ALDH1A1

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-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION UNIV LELAND STANFORD JUNIOR (US) 2015-02-12 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-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION HAVCR2, MAVS, EIF2AK2 MEN1 4779/4885KMT2A 3751/4885CYP2C19 3117/4885

“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.