SCHEMBL8136453

SCHEMBL8136453

FC(F)(F)c1ccc(Cl)nc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GRM2 Q14416 2/20 0.40
RXFP1 Q9HBX9 1/20 0.38
LIMK1 P53667 1/20 0.37
LTB4R Q15722 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
NR1H2 P55055 5/20 0.36
CALM1 P0DP23 1/20 0.35
ADCY10 Q96PN6 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
NR1H3 Q13133 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL17490676 0.77 CYP11B1 (0.35) ALDH1A1GRM2
SCHEMBL11974014 0.75 XPO1 (0.36) GRM2
SCHEMBL17477208 0.75 NOTUM (0.37) ALDH1A1GRM2KDM4E
SCHEMBL11845478 0.75 AR (0.37) ALDH1A1KDM4E
SCHEMBL10516437 0.74 LTB4R (0.47) ALDH1A1LTB4RCALM1ADCY10
Ammonia Solution, Strong SCHEMBL28599718 0.74 ALDH1A1 (0.46) ALDH1A1LTB4RCALM1
SCHEMBL28001487 0.73 RXRA (0.43)
SCHEMBL20303651 0.72 NOTUM (0.37) GRM2
SCHEMBL20303765 0.72 XPO1 (0.33) GRM2
SCHEMBL8140958 0.72 HSD11B1 (0.48) ALDH1A1RXFP1KDM4EATMCALM1

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 9 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-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 ALDH1A1 788/4885GRM2 4461/4885RXFP1 4524/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 ALDH1A1 788/4885GRM2 4461/4885RXFP1 4524/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 ALDH1A1 1388/4885GRM2 4536/4885RXFP1 3847/4885

“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.