SCHEMBL1592872

SCHEMBL1592872

CC1C(=O)N(Nc2cc(C(F)(F)F)c3ccccc3n2)C(=O)C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.40
XPO1 O14980 3/20 0.39
CYP1A2 P05177 6/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 3/20 0.39
RECQL P46063 1/20 0.39
ACP1 P24666 1/20 0.38
KMT2A Q03164 2/20 0.38
C1R P00736 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ELANE P08246 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1592871 0.84 BACE1 (0.47) BACE1ALDH1A1L3MBTL1MCHR1XPO1
SCHEMBL1592462 0.79 XPO1 (0.38) XPO1
SCHEMBL21556239 0.75 XPO1 (0.41) BACE1ALDH1A1L3MBTL1XPO1ELANE
SCHEMBL1593015 0.72 XPO1 (0.42) XPO1TSHRHSD17B10PKM
SCHEMBL8137397 0.72 BACE1 (0.63) BACE1ALDH1A1L3MBTL1MCHR1CYP1A2
SCHEMBL4992537 0.71 XPO1 (0.68) XPO1
SCHEMBL1592493 0.71 XPO1 (0.47) XPO1
SCHEMBL1592507 0.69 XPO1 (0.37) XPO1
SCHEMBL1592405 0.69 L3MBTL1 (0.50) ALDH1A1L3MBTL1XPO1CYP1A2
SCHEMBL1592535 0.68 XPO1 (0.41) L3MBTL1XPO1KMT2AMEN1ELANE

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 16 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
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US claimed
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 claimed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US 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-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP 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
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
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP 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-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

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 BACE1 4228/4885ALDH1A1 788/4885L3MBTL1 1489/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 BACE1 4228/4885ALDH1A1 788/4885L3MBTL1 1489/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 BACE1 4359/4885ALDH1A1 1388/4885L3MBTL1 2503/4885

“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.