SCHEMBL4005747

SCHEMBL4005747

N#Cc1cccnc1C1=CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPK1 P28482 1/20 0.54
MEN1 O00255 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TRPV1 Q8NER1 4/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4004259 0.86 KMT2A (0.63) KMT2ASMN1; SMN2MAPK1MEN1ALDH1A1
SCHEMBL4004624 0.86 MAPK1 (0.56) KMT2ASMN1; SMN2MAPK1MEN1TAAR1
SCHEMBL4006274 0.83 KMT2A (0.59) KMT2ASMN1; SMN2MEN1ALDH1A1TRPV1
SCHEMBL4003247 0.83 LMNA (0.53) KMT2ASMN1; SMN2ALDH1A1TRPV1TP53
SCHEMBL4002538 0.82 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1TRPV1TP53
SCHEMBL3999435 0.82 MAPK1 (0.60) KMT2ASMN1; SMN2MAPK1MEN1TAAR1
SCHEMBL4004550 0.82 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ALDH1A1TRPV1KDM4E
SCHEMBL4004685 0.82 KMT2A (0.50) KMT2ASMN1; SMN2MEN1TRPV1HPGD
SCHEMBL4006848 0.80 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1TRPV1
SCHEMBL4005288 0.79 MAPK1 (0.70) KMT2AMAPK1MEN1TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed
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-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 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 (4 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 KMT2A 2169/4885SMN1; SMN2 1213/4885MAPK1 2344/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885SMN1; SMN2 1213/4885MAPK1 2344/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 KMT2A 1792/4885SMN1; SMN2 1699/4885MAPK1 3775/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885SMN1; SMN2 1213/4885MAPK1 2344/4885

“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.