SCHEMBL9963854

SCHEMBL9963854

O=C(Nc1nccs1)c1ccc2cc(C(=O)Nc3nccs3)ccc2c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.89
NPC1 O15118 10/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
MAPK1 P28482 2/20 0.72
PIK3CD O00329 1/20 0.72
PIK3C2B O00750 1/20 0.72
AURKA O14965 1/20 0.72
PIK3C2G O75747 1/20 0.72
CDK1 P06493 1/20 0.72
CDK4 P11802 1/20 0.72
CCND1 P24385 1/20 0.72
CDK2 P24941 1/20 0.72
MAPK3 P27361 1/20 0.72
CCND3 P30281 1/20 0.72
MAPK4 P31152 1/20 0.72
PIK3CA P42336 1/20 0.72
PIK3CB P42338 1/20 0.72
PIK3CG P48736 1/20 0.72
CDK8 P49336 1/20 0.72

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
SCHEMBL7335284 0.90 RAB9A (0.74) RAB9ANPC1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL4079710 0.87 RAB9A (0.69) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL30405852 0.85 MAPK1 (1.00) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7335296 0.85 RAB9A (0.66) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL4297399 0.83 RAB9A (0.64) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL1119373 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL2956673 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL5413640 0.82 RAB9A (0.63) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL4290771 0.82 NPC1 (0.79) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL3892750 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2AMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202889-B2 Inhibitors of bacterial IMPDH VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202889-B2 Inhibitors of bacterial IMPDH VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-20070191434-A1 Inhibitors of bacterial IMPDH VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 US disclosed
US-20070191434-A1 Inhibitors of bacterial IMPDH VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 US disclosed
WO-2007030617-A1 INHIBITORS OF BACTERIAL IMPDH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 WO 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-20070191434-A1 Inhibitors of bacterial IMPDH IMPDH1, IMPDH2, IMPA1 RAB9A 1725/4885NPC1 452/4885MEN1 2961/4885

“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.