SCHEMBL16239257

SCHEMBL16239257

COc1ccc(Nc2ccc3c(c2[N+](=O)[O-])CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
IDO1 P14902 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH3A1 P30838 1/20 0.46
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TUBB4A P04350 1/20 0.42

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
SCHEMBL15091052 0.86 MAPT (0.51) MAPTMAPK1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL28867098 0.83 MAPT (0.40) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL15087208 0.83 L3MBTL1 (0.46) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL14972524 0.80 MAPT (0.41) MAPTMAPK1ALDH1A1CTSVCTSL
SCHEMBL29908839 0.78 PRMT1 (0.48) MAPTALDH1A1LMNAALDH3A1MEN1
SCHEMBL20378507 0.78 MAPT (0.47) MAPTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL10277652 0.77 GRIN2D (0.41) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL17883918 0.75 MAPT (0.36) MAPTALDH1A1L3MBTL1CTSVCTSL
SCHEMBL8730062 0.75 TDP1 (0.45) MAPTTDP1ALDH1A1L3MBTL1HTT
SCHEMBL14972563 0.75 MEN1 (0.44) MAPTMAPK1ALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2018-07-19 US disclosed
US-9969700-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2018-05-15 US disclosed
EP-2803662-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-03-01 EP disclosed
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2016-09-29 US disclosed
US-9382236-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2016-07-05 US disclosed
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2014-12-04 US disclosed
EP-2803662-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2014-11-19 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 (9 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4732/4885MAPK1 1473/4885TDP1 3916/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4720/4885MAPK1 1450/4885TDP1 4164/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 MAPT 4724/4885MAPK1 1447/4885TDP1 4154/4885

“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.