SCHEMBL4918592

SCHEMBL4918592

Cc1ccc(-c2c(F)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
S100A4 P26447 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.41
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
HPRT1 P00492 1/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15380151 0.86 TDP1 (0.47) TDP1SMN1; SMN2KMT2AMEN1S100A4
SCHEMBL28048984 0.84 TDP1 (0.53) TDP1KMT2AMEN1S100A4HSD17B10
SCHEMBL28010870 0.83 S100A4 (0.43) TDP1TSHRKMT2AMEN1S100A4
SCHEMBL2498033 0.80 ALDH3A1 (0.44) TDP1KMT2AMEN1S100A4ACHE
SCHEMBL1044907 0.78 TTR (0.52) TDP1SMN1; SMN2KMT2AMEN1ACHE
SCHEMBL2501051 0.76 HSD17B10 (0.42) TDP1TSHRKMT2AMEN1S100A4
SCHEMBL6800263 0.76 TSHR (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL31717375 0.75 TSHR (0.53) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1126856 0.74 TDP1 (0.72) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL30563091 0.74 TDP1 (0.72) TDP1TSHRSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A TDP1 1810/4885TSHR 730/4885SMN1; SMN2 1992/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C TDP1 3537/4885TSHR 306/4885SMN1; SMN2 1431/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B TDP1 4654/4885TSHR 1154/4885SMN1; SMN2 4510/4885

“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.