SCHEMBL22304147

SCHEMBL22304147

N#Cc1cccc(C(F)(F)C(=O)NCC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.48
HDAC6 Q9UBN7 3/20 0.47
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
MLYCD O95822 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EPHX1 P07099 2/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
NAMPT P43490 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL31560724 0.71 USP2 (0.39) TSHRKMT2AALDH1A1HDAC4
SCHEMBL22285654 0.71 PTPN5 (0.46) KMT2AMEN1ALDH1A1RXFP1
SCHEMBL25071330 0.70 POLB (0.43) KMT2AHDAC6MLYCDMEN1NPC1
SCHEMBL25071689 0.69 NPC1 (0.42) HDAC6OPRK1OPRD1MLYCDALDH1A1
SCHEMBL10453342 0.69 TSHR (0.47) TSHRKMT2AHDAC6MEN1ALDH1A1
Lithium Ion SCHEMBL30953330 0.69 PTPN5 (0.43) KMT2AMEN1ALDH1A1RXFP1
SCHEMBL5755397 0.68 NOTUM (0.44) TSHRKMT2AMEN1NPC1NAMPT
SCHEMBL3379859 0.67 HDAC6 (0.55) KMT2AHDAC6OPRK1MLYCDMEN1
SCHEMBL4400995 0.67 MEN1 (0.52) KMT2AHDAC6MEN1NAMPT
SCHEMBL4245335 0.66 CHRM3 (0.45) TSHRKMT2A

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-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 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-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 TSHR 1882/4885KMT2A 4343/4885HDAC6 692/4885

“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.