SCHEMBL5455703

SCHEMBL5455703

Cc1cc(C(N)=O)c(NC(=O)CCC(F)(F)F)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK1 O14757 1/20 0.41
IKBKB O14920 3/20 0.40
JAK2 O60674 2/20 0.40
EIF2AK2 P19525 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AIP O00170 1/20 0.40
SGTA O43765 1/20 0.40
TOMM70 O94826 1/20 0.40
STIP1 P31948 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
SCHEMBL11921318 0.77 IKBKB (0.59) ALDH1A1MEN1KMT2AHSD17B10CHEK1
SCHEMBL16261522 0.76 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL16263805 0.74 CFTR (0.55) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL19494482 0.73 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL16387370 0.72 HPGD (0.46) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3870328 0.72 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL163466 0.71 JAK2 (0.54) ALDH1A1MAPTMEN1KMT2ACHEK1
SCHEMBL16263771 0.71 IKBKB (0.43) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL19494947 0.71 IKBKB (0.43) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL14191967 0.69 IKBKB (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP 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-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH SMN1; SMN2 4244/4885ALDH1A1 101/4885MAPT 3371/4885

“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.