SCHEMBL4005306

SCHEMBL4005306

O=C(CBr)Nc1cccc2c1CCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
LMNA P02545 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
THRA P10827 1/20 0.69
THRB P10828 1/20 0.69
KDM4E B2RXH2 2/20 0.63
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 3/20 0.57
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54

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
SCHEMBL4865203 0.85 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL4858016 0.84 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL3066269 0.84 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10800952 0.82 MEN1 (0.74) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6318160 0.82 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL30514209 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL4866699 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL5118727 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6627142 0.80 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6627140 0.80 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ATHRA

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 13 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-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US 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
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (6 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG ALDH1A1 257/4885LMNA 2716/4885MEN1 4797/4885
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885LMNA 4331/4885MEN1 2828/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885LMNA 2961/4885MEN1 4851/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885LMNA 4331/4885MEN1 2828/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885LMNA 4410/4885MEN1 3823/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885LMNA 2961/4885MEN1 4851/4885

“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.