SCHEMBL15091052

SCHEMBL15091052

COc1cccc(Nc2ccc3c(c2[N+](=O)[O-])CCCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NPC1 O15118 2/20 0.46
FBP1 P09467 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL16239257 0.86 MAPT (0.50) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14972557 0.83 CTSV (0.59) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL15087208 0.81 L3MBTL1 (0.46) MAPTHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL15091053 0.80 NPC1 (0.50) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14972507 0.80 POLB (0.43) MEN1KMT2ASMN1; SMN2CCNA2CDK2
SCHEMBL15091152 0.78 MEN1 (0.41) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14972511 0.77 POLB (0.40) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL16174834 0.76 MAPT (0.54) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL26906360 0.74 MAPT (0.75) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL14972563 0.74 MEN1 (0.44) MAPTMEN1KMT2ARAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2631229-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2014-12-03 EP disclosed
US-8673915-B2 P 2×4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2014-03-18 US disclosed
EP-2631229-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-08-28 EP disclosed
US-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-11 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-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST P2RX4, P2RX2, P2RY4 MAPT 4840/4885HPGD 1060/4885MEN1 3222/4885

“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.