SCHEMBL5455604

SCHEMBL5455604

CSc1ccc(NC(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GBA1 P04062 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
KCNH2 Q12809 4/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL5453277 0.88 MEN1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5447596 0.87 GAA (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5452028 0.86 KIF11 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5458283 0.85 MEN1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5456326 0.85 MEN1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5451109 0.85 MEN1 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17625474 0.84 CA12 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5460392 0.84 RAB9A (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5449712 0.83 MAPT (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5459965 0.83 MDM2 (0.45) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20170240522-A1 BENZOTHIOPHENE, BENZYLOXYBENZYLIDENE AND INDOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF TUBERCULOSIS ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2017-08-24 US disclosed
WO-2016041972-A1 BENZOTHIOPHENE, BENZYLOXYBENZYLIDENE AND INDOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF TUBERCULOSIS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-03-24 WO disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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 (2 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 MAPT 21/4885MEN1 2891/4885KMT2A 4785/4885
US-20170240522-A1 BENZOTHIOPHENE, BENZYLOXYBENZYLIDENE AND INDOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF TUBERCULOSIS INMT, IDO2, IDO1 MAPT 349/4885MEN1 3266/4885KMT2A 1842/4885

“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.