SCHEMBL8136374

SCHEMBL8136374

NNc1ccc(C(F)(F)F)c(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CFTR P13569 9/20 0.36
XPO1 O14980 4/20 0.34
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL1592429 0.77 XPO1 (0.55) ALDH1A1MAPTGAARAB9APOLB
SCHEMBL20880357 0.77 MAPT (0.53) ALDH1A1MAPTGAARAB9APOLB
SCHEMBL20265503 0.74 ALDH1A1 (0.34) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL22028785 0.74 KDM4E (0.44) ALDH1A1GAAPOLBCFTRKDM4E
SCHEMBL7110705 0.73 CFTR (0.34) CFTR
SCHEMBL26170382 0.69 PTPN1 (0.37) MAPTGAARAB9ACFTR
SCHEMBL8135554 0.69 CYP11B1 (0.37) ALDH1A1CFTRXPO1
SCHEMBL12704682 0.69 ALDH1A1 (0.43) ALDH1A1MAPTGAARAB9ATDP1
SCHEMBL6712592 0.66 MAPT (1.00) ALDH1A1MAPTGAARAB9ATDP1
SCHEMBL20772551 0.64 ALDH1A1 (0.37) ALDH1A1MAPTGAARAB9APOLB

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 7 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-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-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 788/4885MAPT 4288/4885GAA 2692/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 ALDH1A1 788/4885MAPT 4288/4885GAA 2692/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 ALDH1A1 1388/4885MAPT 4319/4885GAA 683/4885

“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.