SCHEMBL3822110

SCHEMBL3822110

CC(=O)Nc1cccc(-c2csc(-c3cnccc3C(F)(F)F)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 13/20 0.53
SMN1; SMN2 Q16637 11/20 0.53
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
HTT P42858 4/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 8/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP3 P42574 1/20 0.48
GFER P55789 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
Hydrochloric Acid SCHEMBL5732896 0.99 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3823493 0.88 RAB9A (0.64) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3819181 0.84 HTT (0.56) NPC1RAB9AHTTTP53FYN
SCHEMBL3816204 0.81 KDM4E (0.49) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3813650 0.81 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3816057 0.79 TSHR (0.48) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3817637 0.76 EIF4E (0.46) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL3823882 0.75 KDM4E (0.48) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL3814200 0.74 EIF4E (0.53)
SCHEMBL3815420 0.74 KDM4E (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 NPC1 2076/4885RAB9A 4836/4885MAPT 4618/4885

“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.