SCHEMBL20152243

SCHEMBL20152243

CCCCCCNC(=O)c1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
KMT2A Q03164 4/20 0.60
NAAA Q02083 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL18896226 1.00 KDM4E (1.00) KDM4EKMT2ANAAAHDAC3HDAC1
SCHEMBL3924178 1.00 KDM4E (1.00) KDM4EKMT2ANAAAHDAC3HDAC1
SCHEMBL3614618 1.00 KDM4E (1.00) KDM4EKMT2ANAAAHDAC3HDAC1
SCHEMBL9755022 0.98 KDM4E (0.97) KDM4EKMT2ANAAAHDAC3HDAC1
SCHEMBL27650606 0.94 KDM4E (0.89) KDM4EKMT2ANAAAHDAC3HDAC1
SCHEMBL6359528 0.94 KDM4E (0.88) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6360168 0.87 KDM4E (0.77) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
Formamide SCHEMBL8056562 0.87 KDM4E (0.77) KDM4EKMT2AHDAC3HDAC1SMN1; SMN2
SCHEMBL30096713 0.84 KDM4E (0.72) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5656679 0.84 KDM4E (0.72) KDM4EKMT2AHDAC3HDAC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240748-A1 IMPROVED METHOD FOR THE FORMATION OF AMIDES BASF SE (DE) 2024-11-28 WO disclosed
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-06 US disclosed
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 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 (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-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 KDM4E 1993/4885KMT2A 155/4885NAAA 268/4885
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 KDM4E 1993/4885KMT2A 155/4885NAAA 268/4885

“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.