SCHEMBL4010958

SCHEMBL4010958

O=C(CBr)Nc1cccc(Cl)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.77
KMT2A Q03164 10/20 0.77
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.53
SFN P31947 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL2008072 0.87 MEN1 (1.00) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL31146466 0.85 KMT2A (0.68) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL5456482 0.85 KMT2A (0.68) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL11451542 0.84 MEN1 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4002979 0.84 MEN1 (0.79) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10427609 0.84 MEN1 (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4210079 0.83 LMNA (0.64) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL9621530 0.82 MEN1 (0.83) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28833417 0.82 MEN1 (0.77) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8479134 0.81 PBRM1 (0.53) MEN1KMT2AALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (3 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885MAPT 3896/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885MAPT 3896/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MEN1 3823/4885KMT2A 1792/4885MAPT 3453/4885

“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.