SCHEMBL3024820

SCHEMBL3024820

CNCCCNCCCNC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
CYP1A2 P05177 2/20 0.50
EPHX1 P07099 1/20 0.47
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA3 P07451 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PAOX Q6QHF9 1/20 0.44
KDM1A O60341 1/20 0.40

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
SCHEMBL26367204 1.00 CYP2C19 (0.53) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL9971087 0.96 CYP2C19 (0.56) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL7511396 0.96 CYP2C19 (0.56) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL12085580 0.96 CYP2C19 (0.50) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL24415673 0.93 CYP2C19 (0.47) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6960076 0.93 EPHX1 (0.58) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL3020474 0.93 CYP2C19 (0.47) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL8850809 0.93 EPHX1 (0.58) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL9260153 0.93 EPHX1 (0.58) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL5932994 0.92 EPHX1 (0.56) CYP2C19MEN1KMT2AGLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872519-B2 Carbon dioxide absorbent and method for separating out carbon dioxide by using same Sogang University Research Foundation (KR) 2024-01-16 US claimed
CN-117209684-A Photocurable degradable resin and preparation method and application thereof 南方科技大学 2023-12-12 CN claimed
CN-117209684-A Photocurable degradable resin and preparation method and application thereof 南方科技大学 2023-12-12 CN disclosed
WO-2023022926-A1 NANOPARTICLE COMPOSITIONS CONTAINING SUGAR FUNCTIONALIZED NUCLEIC ACID CARRIERS TIBA BIOTECH LLC (US) 2023-02-23 WO disclosed
US-20220395589-A1 POLYMERIC NANOPARTICLES FOR INTRACELLULAR PROTEIN DELIVERY THE JOHNS HOPKINS UNIVERSTY 2022-12-15 US disclosed
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 EP disclosed
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2015-08-27 US disclosed
WO-2014029888-A2 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2014-02-27 WO disclosed
US-8513318-B2 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2013-08-20 US disclosed
WO-2010106341-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2010-09-23 WO disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
EP-0475418-A2 Self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-03-18 EP disclosed
EP-0475367-A1 Diamino-s-triazinon derivatives and self-extinguishing polymeric compositions containing them MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-03-18 EP disclosed
EP-0466137-A2 Salts of triazine derivatives with oxygenated acids of phosphorus and their use in self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-01-15 EP disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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 (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-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 CYP2C19 4234/4885MEN1 102/4885KMT2A 3281/4885
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF SRM, SMS, PNMT CYP2C19 4560/4885MEN1 124/4885KMT2A 679/4885
US-20220395589-A1 POLYMERIC NANOPARTICLES FOR INTRACELLULAR PROTEIN DELIVERY LNPEP, EEA1, CLTB CYP2C19 4871/4885MEN1 3854/4885KMT2A 4305/4885

“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.