SCHEMBL17987828

SCHEMBL17987828

C/C(=N\Nc1nc2ccc(OCCN(C)C)cc2s1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
OPRK1 P41145 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.53
HSP90AA1 P07900 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
AURKB Q96GD4 1/20 0.47
SCD O00767 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
PAX8 Q06710 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL17987872 0.89 NPC1 (0.57) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17987860 0.86 HSP90AA1 (0.54) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17987882 0.85 SCD (0.61) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17987883 0.81 HSP90AA1 (0.50) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17987822 0.80 MAOA (0.48) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17985741 0.79 RAB9A (0.65) NPC1MAPTRAB9AOPRK1KMT2A
SCHEMBL17985747 0.78 HSP90AA1 (0.76) NPC1MAPTRAB9AKMT2ANPSR1
SCHEMBL17987823 0.78 HSP90AA1 (0.54) NPC1MAPTRAB9AKMT2ANPSR1
SCHEMBL17987878 0.77 HSP90AA1 (0.55) NPC1RAB9APKMHSP90AA1MAOA
SCHEMBL17987889 0.76 HSP90AA1 (0.54) NPC1MAPTRAB9AOPRK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828288-B2 Hydrazone derivatives for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-10 US disclosed
WO-2016123253-A1 HYDRAZNE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 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 (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-10828288-B2 Hydrazone derivatives for the treatment of cancer H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 2134/4885MAPT 4822/4885RAB9A 2175/4885

“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.