SCHEMBL14200052

SCHEMBL14200052

CC(C)c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 2/20 0.44
HSD17B10 Q99714 1/20 0.42
HSPB1 P04792 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
S100A4 P26447 2/20 0.40
PTPRC P08575 1/20 0.40
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL16225016 0.86 TDP1 (0.58) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL15371485 0.79 TSHR (0.60) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL11452454 0.79 TDP1 (0.50) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL13902996 0.79 TDP1 (0.50) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL12985610 0.78 ALDH1A1 (0.49) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL29030087 0.78 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL12985680 0.78 TDP1 (0.44) TDP1TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4076713 0.77 GPR35 (0.44) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL4076707 0.77 GPR35 (0.44) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL13070858 0.77 GPR35 (0.44) TDP1TSHRSMN1; SMN2GPR35HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 TDP1 1308/4885TSHR 3456/4885SMN1; SMN2 2387/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TDP1 4683/4885TSHR 508/4885SMN1; SMN2 3927/4885

“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.