SCHEMBL4378111

SCHEMBL4378111

Cn1c(-c2ccccc2)cc(=O)[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.46
TAS2R38 P59533 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL10429727 0.84 NPC1 (0.51) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL10429700 0.73 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL7213284 0.73 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1HPGDTAS2R38
SCHEMBL14936573 0.73 GAA (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9420336 0.72 ADORA2A (0.55) RAB9ANPC1HPGDTAS2R38KMT2A
SCHEMBL1573850 0.71 TSHR (0.50) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL10564050 0.71 ALDH1A1 (0.49) RAB9ANPC1ALOX12TDP1ALDH1A1
SCHEMBL11436206 0.71 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL2821098 0.71 NPC1 (0.93) RAB9ANPC1ALOX12TDP1ALDH1A1
SCHEMBL8924898 0.71 NPC1 (0.45) RAB9ANPC1TDP1ALDH1A1HPGD

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-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 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-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA RAB9A 832/4885NPC1 1382/4885ALOX12 1734/4885

“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.