SCHEMBL21408809

SCHEMBL21408809

O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.48
P2RX7 Q99572 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
FKBP1A P62942 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL21427791 1.00 ALDH1A1 (0.54) ALDH1A1NPC1TDP1CYP3A4CYP2C9
SCHEMBL17268009 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21427542 0.82 EPHX1 (0.56) ALDH1A1CYP2C19KMT2AHPGDFKBP1A
SCHEMBL21427538 0.82 EPHX1 (0.56) ALDH1A1CYP2C19KMT2AHPGDFKBP1A
SCHEMBL21427537 0.82 P2RX7 (0.68) P2RX7
SCHEMBL21427541 0.82 P2RX7 (0.68) P2RX7
SCHEMBL30568965 0.82 P2RX7 (0.68) P2RX7
SCHEMBL21427530 0.80 P2RX7 (0.56) P2RX7
SCHEMBL21427529 0.80 P2RX7 (0.56) P2RX7
SCHEMBL14299315 0.78 P2RX7 (0.70) ALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919854-B2 P2RX7 modulators in therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-03-05 US disclosed
CN-112512520-B P2RX7 modulators in therapy 国家科学研究中心 2023-10-24 CN disclosed
EP-3773557-A1 P2RX7 MODULATORS IN THERAPY Centre national de la recherche scientifique (FR) 2021-02-17 EP disclosed
US-20210017131-A1 P2RX7 MODULATORS IN THERAPY JUNIA (FR) 2021-01-21 US disclosed
WO-2019185868-A1 P2RX7 MODULATORS IN THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-03 WO disclosed
WO-2019185868-A1 P2RX7 MODULATORS IN THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-03 WO 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-20210017131-A1 P2RX7 MODULATORS IN THERAPY P2RX3, P2RX7, P2RX2 ALDH1A1 1188/4885NPC1 907/4885TDP1 2571/4885
US-11919854-B2 P2RX7 modulators in therapy P2RX7, P2RX2, P2RX1 ALDH1A1 1230/4885NPC1 1097/4885TDP1 2519/4885

“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.