SCHEMBL20557366

SCHEMBL20557366

O=[N+]([O-])c1cccc(-c2ccc(F)cc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.60
AKR1C2 P52895 3/20 0.60
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL30469290 1.00 AKR1C3 (0.60) AKR1C3AKR1C2GABRPGABRDGABRA1
SCHEMBL21819356 0.85 CYP19A1 (0.52) AKR1C3AKR1C2LMNATSHRATM
SCHEMBL29646647 0.85 CYP19A1 (0.52) AKR1C3AKR1C2LMNATSHRATM
SCHEMBL21021591 0.84 AKR1C3 (0.59) AKR1C3AKR1C2GABRPGABRDGABRA1
SCHEMBL6799377 0.83 NPC1 (0.68) AKR1C3AKR1C2NPC1RAB9ALMNA
SCHEMBL31398132 0.82 AKR1C3 (0.55) AKR1C3AKR1C2NPC1RAB9ALMNA
SCHEMBL16428783 0.81 PELI1 (0.60) AKR1C3AKR1C2GABRPGABRDGABRA1
SCHEMBL14782125 0.81 TSHR (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2650056 0.81 LMNA (0.47) AKR1C3AKR1C2GABRPGABRDGABRA1
SCHEMBL20557373 0.80 TSHR (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
EP-3621951-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2020-03-18 EP disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
CN-110621656-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2019-12-27 CN disclosed
WO-2018209030-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2018-11-15 WO 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 (4 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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 AKR1C3 2485/4885AKR1C2 2446/4885GABRP 266/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 AKR1C3 2485/4885AKR1C2 2446/4885GABRP 266/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 AKR1C3 2485/4885AKR1C2 2446/4885GABRP 266/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 AKR1C3 2485/4885AKR1C2 2446/4885GABRP 266/4885

“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.