SCHEMBL3885015

SCHEMBL3885015

C=CCn1c(N)cc(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.48
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ADORA2B P29275 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL3064180 0.83 MTNR1A (0.52) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12284152 0.79 KMT2A (0.47) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL9289331 0.79 CYP3A4 (0.44) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL243853 0.76 KMT2A (0.59) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2328939 0.76 ALDH1A1 (0.59) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5440251 0.75 CYP3A4 (0.42) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL1946240 0.73 KMT2A (0.61) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3193701 0.73 KMT2A (0.61) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4803924 0.72 ALDH1A1 (0.51) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL157928 0.72 CYP3A4 (0.71) CYP3A4KMT2AALDH1A1SMN1; SMN2MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115787970-B Anti-static movable floor and preparation method thereof 常州华通新立地板有限公司 2024-06-25 CN disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
CN-115787970-A Anti-static movable floor and preparation method thereof 常州华通新立地板有限公司 2023-03-14 CN disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
WO-2016081522-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2016-05-26 WO disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20060052497-A1 Stabilizer system for stabilizing pvc CROMPTON VINYL ADDITIVES GMBH (DE) 2006-03-09 US disclosed
EP-1583796-A2 STABILIZER SYSTEM FOR STABILIZING PVC Crompton Vinyl Additives GmbH (DE) 2005-10-12 EP disclosed
WO-2004065470-A2 STABILIZER SYSTEM FOR STABILIZING PVC CROMPTON VINYL ADDITIVES GMBH (DE) 2004-08-05 WO disclosed
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 EP disclosed
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 US disclosed
EP-0956855-A1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. Leuven Research & Development (BE) 1999-11-17 EP disclosed
US-4581451-A ALKYLATION AND CYCLIZATION OF A URACIL COMPOUND NESTEC S.A. (CH) 1986-04-08 US disclosed
EP-0039780-B1 DI- OR TRISUBSTITUTED XANTHINES WITH NEUROLEPTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SOCIETE DES PRODUITS NESTLE S.A. (CH) 1985-04-10 EP disclosed
US-4469698-A SEDATIVES, TRANQUILIZERS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-09-04 US disclosed
EP-0039780-A1 Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1981-11-18 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 (2 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-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B CYP3A4 3843/4885KMT2A 2925/4885ALDH1A1 3359/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B CYP3A4 3843/4885KMT2A 2925/4885ALDH1A1 3359/4885

“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.