SCHEMBL4154974

SCHEMBL4154974

N#Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE7A Q13946 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DHFR P00374 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
VCAM1 P19320 1/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL8866352 0.82 PDE7A (0.62) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11632423 0.81 VCAM1 (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11660837 0.79 PDE7A (0.50) MAPTLMNAMEN1KMT2APDE7A
SCHEMBL9132890 0.78 PDE7A (0.58) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29669365 0.77 KDM4E (0.62) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL4011637 0.77 KDM4E (0.62) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL11091201 0.77 MEN1 (0.59) MAPTLMNAMEN1KMT2APDE7A
SCHEMBL7606463 0.76 PDE7A (0.67) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2418894 0.76 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20379380 0.76 MAPT (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 US disclosed
EP-1866300-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100519-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 WO disclosed
US-5684198-A N-ARYL-2-HYDROXYPROPANAMIDES IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-11-04 US disclosed
US-5567735-A CELL POTASSIUM CHANNEL MODULATOR FOR TREATING ASTHMA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-22 US disclosed
US-5565477-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
US-5565465-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP disclosed
US-5474999-A Useful in treatment of urinary incontinence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-12-12 US disclosed
US-5382598-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 US disclosed
US-5272163-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 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-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B MAPT 2214/4885SMN1; SMN2 483/4885LMNA 3294/4885

“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.