SCHEMBL15499796

SCHEMBL15499796

Nc1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 4/20 0.55
THRB P10828 1/20 0.55
ATM Q13315 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAD52 P43351 1/20 0.52

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
SCHEMBL1409462 0.87 KDM4E (0.71) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL1409602 0.86 LMNA (0.65) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL18843662 0.86 ALDH1A1 (0.68) NPC1TP53RAB9AALDH1A1ATM
SCHEMBL18843660 0.86 ALDH1A1 (0.68) NPC1TP53RAB9AALDH1A1ATM
SCHEMBL4777614 0.86 KDM4E (0.69) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL22407743 0.86 KDM4E (0.69) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL14192211 0.85 ALDH1A1 (0.72) NPC1TP53RAB9AALDH1A1KDM4E
Tetraxetan SCHEMBL861961 0.85 SLC6A9 (0.49) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
SCHEMBL3216808 0.83 ATM (0.74) NPC1ALDH1A1KDM4EATMMEN1
SCHEMBL13846193 0.82 HRH3 (0.60) NPC1TP53RAB9AALDH1A1KDM4E

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-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 US disclosed
EP-3229848-B1 TARGETED CONTRAST AGENTS COMPRISING A HYDRAZIDE FUNCTIONAL GROUP RF THERAPEUTICS INC (CA) 2020-08-12 EP disclosed
US-10286090-B2 Targeted contrast agents comprising a hydrazide functional group RF THERAPEUTICS INC. (CA) 2019-05-14 US disclosed
US-20170340757-A1 TARGETED CONTRAST AGENTS COMPRISING A HYDRAZIDE FUNCTIONAL GROUP RF THERAPEUTICS INC. (CA) 2017-11-30 US disclosed
US-20170340757-A1 TARGETED CONTRAST AGENTS COMPRISING A HYDRAZIDE FUNCTIONAL GROUP RF THERAPEUTICS INC. (CA) 2017-11-30 US disclosed
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF RF THERAPEUTICS INC. (CA) 2014-03-06 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 (4 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-10286090-B2 Targeted contrast agents comprising a hydrazide functional group ANTXR2, CA4, CA14 NPC1 1738/4885TP53 1303/4885RAB9A 1764/4885
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 NPC1 2019/4885TP53 2714/4885RAB9A 2921/4885
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF ANTXR2, CALCOCO2, PAICS NPC1 3928/4885TP53 2158/4885RAB9A 2707/4885
US-20170340757-A1 TARGETED CONTRAST AGENTS COMPRISING A HYDRAZIDE FUNCTIONAL GROUP ANTXR2, CA4, CA14 NPC1 1738/4885TP53 1303/4885RAB9A 1764/4885

“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.