SCHEMBL8138653

SCHEMBL8138653

CC1=C(C)C(=O)N(Nc2ccc3ccccc3n2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.61
NCF1 P14598 1/20 0.53
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 2/20 0.42
WNT3A P56704 2/20 0.41
MTOR P42345 1/20 0.40
NOTUM Q6P988 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL20880371 0.81 XPO1 (0.51) XPO1NPC1RAB9AKDM4ECYP1A2
SCHEMBL8134282 0.79 XPO1 (0.56) XPO1NPC1RAB9AALDH1A1TDP1
SCHEMBL12704681 0.72 XPO1 (0.51) XPO1
SCHEMBL12704552 0.72 XPO1 (0.58) XPO1
SCHEMBL1592871 0.72 BACE1 (0.47) XPO1CYP1A2KMT2AALDH1A1PKM
SCHEMBL21556239 0.71 XPO1 (0.41) XPO1KDM4EPDE10AALDH1A1GAA
SCHEMBL5506476 0.70 NCF1 (1.00) NCF1NPC1RAB9AKDM4ECYP1A2
SCHEMBL8140079 0.70 XPO1 (0.46) XPO1NPC1RAB9AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7399656 0.69 NCF1 (0.95) NCF1NPC1RAB9AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL15842393 0.69 NCF1 (0.95) NCF1NPC1RAB9AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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 (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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 XPO1 280/4885NCF1 1367/4885NPC1 4158/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 XPO1 280/4885NCF1 1367/4885NPC1 4158/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 XPO1 302/4885NCF1 745/4885NPC1 1408/4885

“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.