SCHEMBL4555002

SCHEMBL4555002

CC(C)(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
KDR P35968 1/20 0.57
SRPK2 P78362 1/20 0.57
SRPK1 Q96SB4 1/20 0.57
SRPK3 Q9UPE1 1/20 0.57
ALDH1A1 P00352 6/20 0.55
NPSR1 Q6W5P4 4/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.50

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
SCHEMBL8274190 0.79 MAPT (0.70) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL12731774 0.79 MAPT (0.67) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL13763653 0.78 MAPT (0.74) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL3845205 0.77 SRPK1 (0.49) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL4554999 0.77 MAPT (0.58) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL8136849 0.77 MAPT (0.97) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL4917218 0.77 EPHX2 (0.57) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL4548155 0.77 SMN1; SMN2 (0.52) MAPTKDRSRPK1ALDH1A1TSHR
SCHEMBL3843670 0.77 KDR (0.50) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL4548170 0.76 ALDH1A1 (0.63) MAPTALDH1A1NPSR1TSHRHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT MAPT 1631/4885KDR 4697/4885SRPK2 1416/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885KDR 4697/4885SRPK2 1416/4885

“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.