SCHEMBL7948996

SCHEMBL7948996

Nc1ccc(CCCS)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 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
ADRB2 P07550 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL11295679 0.92 TDP1 (0.56) TDP1MAPTMEN1KMT2APOLB
SCHEMBL12798874 0.86 TDP1 (0.62) TDP1MAPTMEN1KMT2APOLB
SCHEMBL2647110 0.84 SKP2 (0.56) TDP1MAPTMEN1KMT2APOLB
SCHEMBL11292592 0.83 TDP1 (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL5869144 0.83 TSHR (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL992165 0.81 TDP1 (0.61) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6365845 0.81 KCNH2 (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL9100894 0.81 KCNH2 (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL10780618 0.81 KCNH2 (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL11295215 0.81 MAPT (0.49) TDP1MAPTMEN1KMT2APOLB

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 3557/4885MEN1 4157/4885

“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.