SCHEMBL13519476

SCHEMBL13519476

C=CC(NC(=O)n1ccnc1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL13519472 0.85 FAAH (0.36) FAAHMGLLPOLBSMN1; SMN2CYP3A4
SCHEMBL13519479 0.78 FAAH (0.35) FAAHMGLLCYP3A4
SCHEMBL7239641 0.73 FAAH (0.50) FAAHMGLLPOLBCYP2C9CYP3A4
SCHEMBL1162413 0.72 HSPA5 (0.36) POLBSMN1; SMN2CYP2C9
SCHEMBL24000883 0.70 RAB9A (0.53) SMN1; SMN2NAMPTCYP3A4
SCHEMBL13519357 0.70 FAAH (0.33) FAAHMGLL
SCHEMBL1162810 0.69 CYP17A1 (0.35) CYP3A4
SCHEMBL13519395 0.69 MAPT (0.30)
SCHEMBL13519388 0.68 FDPS (0.36)
SCHEMBL13519420 0.68 ACP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256413-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION (US) 2023-08-17 US disclosed
EP-4129466-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER Waters Technologies Corporation (US) 2023-02-08 EP disclosed
US-20210220753-A1 HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2021-07-22 US disclosed
US-10974167-B2 High purity chromatographic materials comprising an ionizable modifier WATERS TECHNOLOGIES CORPORATION (US) 2021-04-13 US disclosed
US-20190126241-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER FOR RETENTION OF ACIDIC ANALYTES WATERS TECHNOLOGIES CORPORATION 2019-05-02 US disclosed
US-20190091606-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2019-03-28 US disclosed
US-10159911-B2 High purity chromatographic materials comprising an ionizable modifier WATERS TECHNOLOGIES CORPORATION (US) 2018-12-25 US disclosed
US-10150098-B2 High purity chromatographic materials comprising an ionizable modifier WATERS TECHNOLOGIES CORPORATION (US) 2018-12-11 US disclosed
US-20130319086-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2013-12-05 US disclosed
US-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER WATERS TECHNOLOGIES CORPORATION (US) 2012-11-01 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 (1 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-20120273404-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER SPECC1L, SAMM50, RAB5IF FAAH 2130/4885MGLL 885/4885POLB 4352/4885

“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.