SCHEMBL4482901

SCHEMBL4482901

CCc1ccc(CC(=O)NCC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
POLB P06746 1/20 0.64
PTPRZ1 P23471 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AIMP2 Q13155 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL16994745 0.86 KMT2A (0.59) LMNAPOLBPTPRZ1SMN1; SMN2HPGD
SCHEMBL21178388 0.83 PTPRZ1 (0.46) LMNAPOLBPTPRZ1SMN1; SMN2HPGD
SCHEMBL826024 0.80 HPGD (0.51) LMNASMN1; SMN2HPGDKMT2AKDM4E
SCHEMBL4475119 0.79 LMNA (0.64) LMNAPOLBSMN1; SMN2HPGDRAB9A
SCHEMBL15610864 0.78 KMT2A (0.54) LMNAPOLBSMN1; SMN2KMT2AKDM4E
SCHEMBL20725429 0.77 RAB9A (0.55) LMNAPOLBSMN1; SMN2KMT2ARAB9A
SCHEMBL17298901 0.76 LMNA (0.44) LMNAPOLBPTPRZ1SMN1; SMN2KMT2A
SCHEMBL12471200 0.76 TRPV1 (0.48) LMNAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL17359285 0.74 HPGD (0.54) LMNASMN1; SMN2HPGDKDM4ECYP1A2
SCHEMBL26748615 0.74 PLK1 (0.50) LMNAPOLBSMN1; SMN2HPGDKMT2A

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK LMNA 2451/4885POLB 2890/4885PTPRZ1 1615/4885

“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.