SCHEMBL21389525

SCHEMBL21389525

CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]1)n2CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ HPGD P15428 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ BRDT Q58F21 1/20 0.43

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
SCHEMBL21389551 0.88 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL19090406 0.88 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL23731028 0.85 BRD4 (0.44) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL23730765 0.80 BRD4 (0.43) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL19090210 0.79 TPH2 (0.57) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL21389549 0.79 BRD4 (0.47) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL19090396 0.75 BRD4 (0.48) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL21389535 0.75 BRD4 (0.51) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL19090317 0.75 BRD4 (0.47) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL21389573 0.74 BRD4 (0.52) ALDH1A1MAPTHPGDLMNAKMT2A

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
US-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 — — US disclosed
EP-3397640-B1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INST NAT SANTE RECH MED (FR) 2021-08-04 — — EP disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 — — 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 ALDH1A1 3631/4885MAPT 2558/4885HPGD 1182/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ALDH1A1 3631/4885MAPT 2558/4885HPGD 1182/4885

“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.

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