SCHEMBL17625458

SCHEMBL17625458

COC(=O)c1cccc(NC(=O)Nc2sc3c(Cl)c(OC(C)=O)c(Cl)cc3c2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
IDH1 O75874 1/20 0.41
GPR17 Q13304 1/20 0.40
CNR1 P21554 1/20 0.40
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39

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
SCHEMBL17625480 0.84 ROCK2 (0.38) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL17625478 0.82 AURKA (0.40) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL17625481 0.80 MEN1 (0.37) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL19353145 0.77 CUL4A (0.33) NPSR1HTT
SCHEMBL19353125 0.76 CNR2 (0.41) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL19329946 0.75 KDM4E (0.41) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL19353265 0.73 KMT2A (0.37) MAPTKMT2ACYP1A2POLBALDH1A1
SCHEMBL19272739 0.72 KDM1A (0.34) CYP3A4CYP2C19ALDH1A1
SCHEMBL19353122 0.71 KDM4E (0.38) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL19329944 0.71 NPSR1 (0.36) MAPTRAB9AKMT2AMEN1NPSR1

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-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

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-20170240522-A1 BENZOTHIOPHENE, BENZYLOXYBENZYLIDENE AND INDOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF TUBERCULOSIS INMT, IDO2, IDO1 MAPT 349/4885RAB9A 3802/4885NPC1 2343/4885

“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.