SCHEMBL20516441

SCHEMBL20516441

O=C(c1cccc(Br)c1Cl)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
GLA P06280 2/20 0.56
NPC1 O15118 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
USP2 O75604 1/20 0.47
MGLL Q99685 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL20516437 0.98 HPGD (0.58) HPGDGLANPC1L3MBTL3L3MBTL1
SCHEMBL29486100 0.86 GAA (0.52) NPC1LMNAGAAALDH1A1KDM4E
SCHEMBL28746378 0.86 GAA (0.52) NPC1LMNAGAAALDH1A1KDM4E
SCHEMBL4163170 0.82 L3MBTL3 (0.71) HPGDNPC1L3MBTL3L3MBTL1LMNA
SCHEMBL29944015 0.81 HPGD (0.67) HPGDGLANPC1GAAKDM4E
SCHEMBL3455048 0.81 L3MBTL3 (0.69) HPGDNPC1L3MBTL3L3MBTL1LMNA
SCHEMBL24883963 0.80 P2RX7 (0.63) HPGDGLANPC1GAAALDH1A1
SCHEMBL16344196 0.80 GAA (0.59) HPGDGLANPC1L3MBTL3L3MBTL1
SCHEMBL24135017 0.80 MAPK1 (0.51) L3MBTL1LMNAGAAALDH1A1TSHR
SCHEMBL24135015 0.79 GABRD (0.52) ALDH1A1USP2

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-10336709-B2 Lp-PLA2 inhibitors ABIDE THERAPEUTICS, INC (US) 2019-07-02 US disclosed
US-10336709-B2 Lp-PLA2 inhibitors ABIDE THERAPEUTICS, INC (US) 2019-07-02 US disclosed
US-20180282288-A1 LP-PLA2 INHIBITORS H. LUNDBECK A/S (DK) 2018-10-04 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-20180282288-A1 LP-PLA2 INHIBITORS PLA2G12A, PLA2G12B, PLA2G4B HPGD 565/4885GLA 370/4885NPC1 367/4885
US-10336709-B2 Lp-PLA2 inhibitors PLA2G12A, PLA2G12B, PLA2G1B HPGD 578/4885GLA 340/4885NPC1 413/4885

“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.