SCHEMBL2813865

SCHEMBL2813865

N=C(S)NCc1ccccc1CNC(=N)S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 3/20 0.34
HTT P42858 2/20 0.34
MTNR1A P48039 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
CRHBP P24387 1/20 0.34

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
Bromide SCHEMBL2810282 0.98 NPC1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4920982 0.86 MAPT (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27682272 0.86 CYP2D6 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5068038 0.86 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
Bromide SCHEMBL4918498 0.85 MEN1 (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28014064 0.84 ALDH1A1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4797245 0.84 NPC1 (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2813548 0.83 HPGD (0.36) NPC1RAB9AMEN1KMT2AMAPT
Bromide SCHEMBL2813445 0.81 HPGD (0.36) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2816371 0.81 MEN1 (0.41) MEN1KMT2AMAPTTSHRHPGD

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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH NPC1 475/4885RAB9A 1888/4885MEN1 933/4885

“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.