SCHEMBL8131606

SCHEMBL8131606

CC1=C(C)C(=O)N(Nc2cccc(C(C)(C)C)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 3/20 0.55
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ P2RX1 P51575 1/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ SLK Q9H2G2 1/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8139837 0.86 XPO1 (0.71) XPO1KIF11CYP1A2ALDH1A1CYP3A4
SCHEMBL12704573 0.80 XPO1 (0.49) XPO1CYP1A2ALDH1A1CYP3A4MAPT
SCHEMBL8139982 0.80 XPO1 (0.53) XPO1HDAC8HDAC6HDAC3KIF11
SCHEMBL8141682 0.75 CYP1A2 (0.67) XPO1CYP1A2ALDH1A1MAPTMAPK1
SCHEMBL8138721 0.72 XPO1 (0.42) XPO1CYP1A2ALDH1A1CYP3A4MAPT
SCHEMBL8138841 0.71 XPO1 (1.00) XPO1P2RX1ALDH1A1MAPT
SCHEMBL21625856 0.70 KIF11 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC2
SCHEMBL29514710 0.70 KIF11 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC2
SCHEMBL8124720 0.70 XPO1 (0.50) XPO1CYP1A2ALDH1A1MAPT
SCHEMBL8134433 0.70 XPO1 (0.50) XPO1KIF11CYP1A2P2RX1ALDH1A1

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 12 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
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 — — 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 280/4885HDAC8 360/4885HDAC6 1470/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 XPO1 280/4885HDAC8 360/4885HDAC6 1470/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 XPO1 302/4885HDAC8 63/4885HDAC6 1043/4885

“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.

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