SCHEMBL6443587

SCHEMBL6443587

[CH2]Cc1ccc(NC(=O)OCc2ccccc2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MGLL Q99685 3/20 0.58
POLB P06746 1/20 0.53
ENPP2 Q13822 3/20 0.52
ROCK2 O75116 2/20 0.51
PTPN1 P18031 1/20 0.49
MAOB P27338 3/20 0.49
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
RCOR1 Q9UKL0 1/20 0.48

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
SCHEMBL6445958 0.90 NPC1 (0.51) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL27620941 0.86 TP53 (0.57) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL4291027 0.85 NPC1 (0.64) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL27498433 0.82 MGLL (0.74) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL9080564 0.82 POLB (0.68) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL3786672 0.81 MGLL (0.60) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL11766069 0.81 NPC1 (0.72) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL3792767 0.79 MGLL (0.61) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL3789239 0.78 MEN1 (0.60) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL6443584 0.78 MGLL (0.56) NPC1RAB9ATP53MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 NPC1 429/4885RAB9A 362/4885TP53 2638/4885

“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.