SCHEMBL7948995

SCHEMBL7948995

Nc1ccc(CCC=S)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL11295215 0.91 MAPT (0.49) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL12798874 0.86 TDP1 (0.62) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL11295676 0.85 MAPT (0.53) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL992165 0.81 TDP1 (0.61) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL11295679 0.81 TDP1 (0.56) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL4719966 0.80 TSHR (0.58) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL5952783 0.80 TSHR (0.56) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL27947665 0.80 TDP1 (0.55) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL8781834 0.79 LMNA (0.55) TDP1MAPTALDH1A1MEN1POLB
SCHEMBL2929031 0.79 TDP1 (0.62) TDP1MAPTALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303782-A1 PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2013-11-14 US disclosed
EP-2643304-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE Sequent Scientific Ltd. (IN) 2013-10-02 EP disclosed
WO-2012070069-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2012-05-31 WO disclosed
US-6232331-B1 TOLERANCE RESISTANT NITRIC OXIDE DONORS IN TREATMENT OF ANGINA PECTORIS TORRENT PHARMACEUTICAL LTD. (IN) 2001-05-15 US disclosed
EP-0004606-B1 PROCESS FOR PREPARING ANILINE COMPOUNDS ETHYL CORPORATION (US) 1982-03-10 EP disclosed
US-4186147-A DISPLACEMENT OF THIOCYANOANILINE WITH AN ALCOHOL TO FORM THIOALKYL ANILINE ETHYL CORPORATION (US) 1980-01-29 US disclosed
EP-0004606-A2 Process for preparing aniline compounds ETHYL CORPORATION (US) 1979-10-17 EP 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-20130303782-A1 PROCESS FOR PREPARATION OF ALBENDAZOLE CPS1, PNPO, NAT1 TDP1 3997/4885MAPT 3557/4885ALDH1A1 2020/4885

“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.