SCHEMBL5445940

SCHEMBL5445940

O=C(NC(=S)Nc1ccc(F)cc1F)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
GAA P10253 4/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 4/20 0.58
KMT2A Q03164 3/20 0.58
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.51
CCR6 P51684 1/20 0.51
HTT P42858 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
GRM4 Q14833 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
SCHEMBL5450396 0.87 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL14096348 0.85 NPC1 (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL5445708 0.85 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL24769824 0.81 EPHX1 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5448085 0.80 RAB9A (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10917528 0.80 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL10920377 0.77 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL15779461 0.76 MAPT (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL30876201 0.75 HPGD (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL10924181 0.74 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2GAA

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 3 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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 ALDH1A1 2930/4885RAB9A 3144/4885NPC1 886/4885

“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.