SCHEMBL3633042

SCHEMBL3633042

CC1C(=O)N(Nc2cc(CN3CCN(C4CCN(C(=O)O)CC4)CC3)c3ccc(Br)cc3n2)C(=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.36
TRPV4 Q9HBA0 3/20 0.35
POLB P06746 2/20 0.33
DDR1 Q08345 5/20 0.33
CCR5 P51681 2/20 0.33
CHRM4 P08173 1/20 0.33
FAAH O00519 1/20 0.33
GPR6 P46095 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTNNB1 P35222 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PAK4 O96013 1/20 0.32

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
SCHEMBL3640814 0.92 POLB (0.38) POLBFAAHGPR6TP53HTT
SCHEMBL3633036 0.90 TRPV6 (0.36) TRPV6TRPV4POLBDDR1CCR5
SCHEMBL1592947 0.89 FPR2 (0.40) TP53
SCHEMBL3640400 0.83 ALDH1A1 (0.36) CYP3A4CYP2D6HTTKMT2APAK4
SCHEMBL1592445 0.83 ALDH1A1 (0.47) POLBTP53TSHRKMT2A
SCHEMBL1592614 0.81 POLB (0.36) POLBFAAHGPR6
SCHEMBL1592423 0.80 CA12 (0.41)
SCHEMBL3640809 0.80 POLB (0.41) POLBFAAHTP53HTTKMT2A
SCHEMBL1592453 0.80 KDM4E (0.51) POLBKMT2A
SCHEMBL1592426 0.79 TNKS (0.41) POLBFAAHTSHRHTT

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
EP-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP claimed
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP claimed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP claimed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO claimed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US claimed
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
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 TRPV6 4510/4885TRPV4 4029/4885POLB 366/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 TRPV6 4662/4885TRPV4 4599/4885POLB 250/4885

“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.