SCHEMBL3926232

SCHEMBL3926232

N=C(NO)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
NCOR2 Q9Y618 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA1 P00915 2/20 0.52
EPHX1 P07099 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL13584139 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
Hydrochloric Acid SCHEMBL13585003 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL17887852 0.82 EPHX1 (0.62) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL3998822 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
SCHEMBL3916719 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL10594051 0.82 LMNA (0.62) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
SCHEMBL850447 0.82 TAAR1 (0.55) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL13825511 0.79 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2CA12CA2
Phenformin SCHEMBL12487086 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CA12CA2
Phenformin SCHEMBL8424 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CA12CA2

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
EP-3911372-A1 COMPOUND TARGETING NOREPINEPHRINE TRANSPORTER Guangzhou Miphere Medical Technology Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020148154-A1 COMPOUND TARGETING NOREPINEPHRINE TRANSPORTER JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2020-07-23 WO disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 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 (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-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 NPC1 2/4885RAB9A 1900/4885SMN1; SMN2 2844/4885

“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.