SCHEMBL1592401

SCHEMBL1592401

CCC1C(=O)N(Nc2ccc(C(F)(F)F)c(-c3ccc(F)c(Cl)c3)n2)C(=O)C1CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 11/20 0.44
FAAH O00519 2/20 0.35
TRPV3 Q8NET8 1/20 0.34
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
NR1H4 Q96RI1 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
SCHEMBL1592444 0.89 XPO1 (0.43) XPO1FAAHTRPV3
SCHEMBL1592440 0.83 XPO1 (0.47) XPO1FAAHNR1H4
SCHEMBL1593192 0.83 XPO1 (0.41) XPO1FAAHTRPV3TGFBR1TGFBR2
SCHEMBL1592522 0.76 XPO1 (0.47) XPO1
SCHEMBL1592802 0.75 XPO1 (0.44) XPO1
SCHEMBL1592513 0.73 XPO1 (0.60) XPO1
SCHEMBL1592494 0.71 XPO1 (0.51) XPO1
SCHEMBL1593002 0.71 XPO1 (0.44) XPO1TRPV1
SCHEMBL1592800 0.70 XPO1 (0.48) XPO1
SCHEMBL1592487 0.69 XPO1 (0.43) XPO1TRPV1

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-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-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

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 280/4885FAAH 4219/4885TRPV3 4170/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 XPO1 280/4885FAAH 4219/4885TRPV3 4170/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 XPO1 302/4885FAAH 4254/4885TRPV3 4639/4885

“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.