SCHEMBL16239118

SCHEMBL16239118

Nc1c(NCCNC(=O)O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA4 P22748 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
NCEH1 Q6PIU2 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MTNR1A P48039 1/20 0.39
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL11889090 0.82 CA12 (0.51) CA12CA4CA7CA9CA14
SCHEMBL3655465 0.81 CA12 (0.74) CA12CA4CA7CA9CA14
SCHEMBL29908813 0.80 BCHE (0.49) CA12CA4CA7CA9CA14
SCHEMBL7476439 0.80 NCEH1 (0.44) NCEH1CYP1A1CYP1B1TSHRALDH1A1
SCHEMBL16239187 0.78 HSP90AA1 (0.49) CA12CA4CA7CA9CA14
SCHEMBL20563202 0.78 MTNR1A (0.54) NCEH1CYP1A1CYP1B1MTNR1A
SCHEMBL30094492 0.78 NCEH1 (0.46) CA12CA4CA7CA9CA14
SCHEMBL27972316 0.77 NCEH1 (0.43) CA12CA4CA7CA9CA14
SCHEMBL16238914 0.75 TSHR (0.47) NCEH1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL17883929 0.75 NCEH1 (0.41) CA12CA4CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110483423-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2019-11-22 CN disclosed
CN-108863959-A P2X4 RECEPTOR ANTAGONIST 日本化学药品株式会社 2018-11-23 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-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 (6 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-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3265/4885CA4 1722/4885CA7 1931/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA4 1670/4885CA7 1922/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA4 1670/4885CA7 1922/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA12 3280/4885CA4 1670/4885CA7 1922/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA12 3280/4885CA4 1670/4885CA7 1922/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA4 1670/4885CA7 1922/4885

“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.