SCHEMBL14096368

SCHEMBL14096368

O=C(NC(=S)Nc1nncs1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
EPHX1 P07099 4/20 0.56
TAAR1 Q96RJ0 1/20 0.55
AQP4 P55087 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 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
SCHEMBL14096345 0.86 ALDH1A1 (0.51) MIFNPC1RAB9AEPHX1AQP4
SCHEMBL3379803 0.85 AQP4 (0.70) MIFNPC1RAB9ATAAR1AQP4
SCHEMBL9724908 0.82 MIF (0.59) MIFTAAR1AQP4ALDH1A1POLB
SCHEMBL11311196 0.80 SMN1; SMN2 (0.54) MIFNPC1RAB9AALDH1A1MEN1
SCHEMBL13779380 0.77 MIF (1.00) MIFNPC1RAB9ATAAR1NPSR1
SCHEMBL14096340 0.77 NPC1 (0.73) NPC1RAB9AEPHX1NPSR1PKM
SCHEMBL28774244 0.76 NPC1 (0.59) NPC1RAB9AEPHX1NPSR1PKM
SCHEMBL18550671 0.75 NPC1 (1.00) NPC1RAB9AEPHX1PKMALDH1A1
SCHEMBL2379466 0.74 MAPT (0.80) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14096367 0.73 ALDH1A1 (0.70) NPC1RAB9ANPSR1PKMALDH1A1

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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MIF 2878/4885NPC1 886/4885RAB9A 3144/4885

“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.