SCHEMBL19009871

SCHEMBL19009871

O=[N+]([O-])c1c(-c2ccc(Br)cc2)c2ccccc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.50
CYP3A4 P08684 1/20 0.43
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HCRTR1 O43613 1/20 0.38
PKM P14618 1/20 0.38
CTSB P07858 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
G6PD P11413 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL17915420 0.85 S100A4 (0.57) S100A4CYP3A4ALDH1A1TSHRHCRTR1
SCHEMBL7905236 0.77 CYP3A4 (0.53) S100A4CYP3A4ALDH1A1TSHRHCRTR1
SCHEMBL29696841 0.76 ALDH1A1 (0.57) CYP3A4PTGS2ALDH1A1MAPK1TDP1
SCHEMBL1665653 0.76 ALDH1A1 (0.57) CYP3A4PTGS2ALDH1A1MAPK1TDP1
SCHEMBL7912390 0.75 S100A4 (0.59) S100A4CYP3A4ALDH1A1MAPK1TSHR
SCHEMBL19009872 0.75 MAPK1 (0.46) CYP3A4PTGS2ALDH1A1MAPK1CTSB
SCHEMBL21624612 0.74 MAPK1 (0.64) PTGS2ALDH1A1MAPK1TDP1MAPT
SCHEMBL21577244 0.74 ALDH1A1 (0.62) CYP3A4PTGS2ALDH1A1MAPK1TDP1
SCHEMBL13777182 0.74 ALDH1A1 (0.55) CYP3A4PTGS2ALDH1A1MAPK1TDP1
SCHEMBL17987523 0.73 TSHR (0.53) S100A4CYP3A4ALDH1A1TSHRTDP1

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
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 S100A4 3117/4885CYP3A4 763/4885PTGS2 985/4885

“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.