SCHEMBL896497

SCHEMBL896497

Cc1cncc(NC(=O)Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
MAPT P10636 5/20 0.55
CYP1A2 P05177 1/20 0.54
FAAH O00519 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RAD51 Q06609 1/20 0.50
POLB P06746 1/20 0.49
PORCN Q9H237 1/20 0.48

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
SCHEMBL21227888 0.84 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2FAAHCYP3A4
SCHEMBL9383638 0.84 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL3984703 0.83 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2FAAHCYP3A4
SCHEMBL11668327 0.83 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2FAAHCYP3A4
SCHEMBL896790 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2FAAHKMT2A
SCHEMBL12991338 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL32671986 0.82 CNR1 (0.57) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL12515433 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL896275 0.82 KMT2A (0.58) ALDH1A1MAPTCYP1A2KMT2AKDM4E
SCHEMBL897080 0.82 POLB (0.52) ALDH1A1MAPTCYP1A2KMT2AKDM4E

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-20240400560-A1 BICYCLIC HETEROCYCLIC DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO., LTD. (JP) 2024-12-05 US disclosed
CN-117999257-A Bicyclic heterocyclic derivatives having virus proliferation inhibitory activity and pharmaceutical compositions containing the same 盐野义制药株式会社 2024-05-07 CN disclosed
WO-2023195529-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 US disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 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 (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-20240400560-A1 BICYCLIC HETEROCYCLIC DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CTRL, ACE2, ACE ALDH1A1 2126/4885MAPT 3548/4885CYP1A2 723/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH ALDH1A1 709/4885MAPT 1489/4885CYP1A2 1649/4885
US-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC ALDH1A1 360/4885MAPT 1768/4885CYP1A2 114/4885

“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.