SCHEMBL22277247

SCHEMBL22277247

CCCC(C)c1cn2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RCE1 Q9Y256 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.41
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
MLYCD O95822 1/20 0.34
USP7 Q93009 1/20 0.33
METTL3 Q86U44 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL21937449 0.82 MCHR1 (0.60) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL24222036 0.78 APP (0.40) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL21240890 0.76 SCN10A (0.41) MCHR1SCN10A
SCHEMBL720360 0.76 SMN1; SMN2 (0.50) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL21240751 0.75 SCN10A (0.32) SCN10A
SCHEMBL22277181 0.74 MCHR1 (0.44) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL22607179 0.74 NPC1 (0.44) KDM4EALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL22277159 0.73 KDM4E (0.50) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL24408380 0.72 NPC1 (0.41) KDM4EALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL8814197 0.71 MCHR1 (0.57) MCHR1KDM4EALDH1A1NPC1HPGD

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 MCHR1 2156/4885KDM4E 1766/4885ALDH1A1 3858/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 MCHR1 2156/4885KDM4E 1766/4885ALDH1A1 3858/4885

“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.