SCHEMBL22601558

SCHEMBL22601558

CC(C)(C)c1cc(C(=O)Nc2cccc(F)c2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 1/20 0.53
TSHR P16473 1/20 0.52
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.51
LCK P06239 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL22601557 0.90 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601584 0.85 LMNA (0.80) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601457 0.85 LMNA (1.00) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601588 0.81 LMNA (0.76) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601573 0.80 LMNA (0.79) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601575 0.80 LMNA (0.74) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601460 0.79 LMNA (0.82) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7301550 0.78 KCNK9 (0.73) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601544 0.78 LMNA (0.85) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22601454 0.78 LMNA (0.70) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 LMNA 3233/4885NPC1 1692/4885RAB9A 2977/4885

“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.