SCHEMBL4919253

SCHEMBL4919253

Cc1ccc(-c2c(F)cccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ACHE P22303 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
NFE2L2 Q16236 1/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL1043440 0.85 ALDH1A1 (0.43) NPC1RAB9APTGS2SMN1; SMN2ALDH1A1
SCHEMBL1044907 0.85 TTR (0.52) TTRNPC1RAB9APTGS2PTGS1
SCHEMBL2850934 0.82 ACHE (0.39) NPC1RAB9APTGS2PTGS1SMN1; SMN2
SCHEMBL27277437 0.81 CYP1A2 (0.45) TTRALDH1A1L3MBTL1MAPK1NFE2L2
SCHEMBL1865690 0.81 CSNK1E (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2845284 0.79 PTGS2 (0.42) TTRNPC1RAB9APTGS2PTGS1
SCHEMBL18462293 0.78 NPC1 (0.46) NPC1RAB9APTGS2PTGS1SMN1; SMN2
SCHEMBL2845009 0.77 ACHE (0.41) SMN1; SMN2ALDH1A1ACHEKMT2ATP53
SCHEMBL4910768 0.76 ADORA2A (0.41) TTRNPC1RAB9APTGS2PTGS1
Hydrogen Sulfide SCHEMBL3139953 0.76 NPC1 (0.45) NPC1RAB9APTGS2PTGS1SMN1; SMN2

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 TTR 3579/4885NPC1 3319/4885RAB9A 3075/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C TTR 4607/4885NPC1 2651/4885RAB9A 596/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B TTR 3872/4885NPC1 3716/4885RAB9A 3881/4885

“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.