SCHEMBL4004550

SCHEMBL4004550

N#Cc1cccnc1C1=CCN(CC(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 2/20 0.43
TRPV1 Q8NER1 3/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 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
SCHEMBL4004685 0.88 KMT2A (0.50) SMN1; SMN2KMT2AATMTRPV1LMNA
SCHEMBL4002538 0.87 KMT2A (0.55) SMN1; SMN2KMT2AALDH1A1KDM4ETRPV1
SCHEMBL4010559 0.85 REV1 (0.51) SMN1; SMN2KMT2AALDH1A1KDM4ETHRB
SCHEMBL4003247 0.84 LMNA (0.53) SMN1; SMN2KMT2AALDH1A1KDM4ETHRB
SCHEMBL4006848 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1KDM4ETRPV1
SCHEMBL4004259 0.82 KMT2A (0.63) SMN1; SMN2KMT2AALDH1A1KDM4ELMNA
SCHEMBL4005747 0.82 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1KDM4ETRPV1
SCHEMBL4006274 0.81 KMT2A (0.59) SMN1; SMN2KMT2AALDH1A1KDM4ETRPV1
SCHEMBL4010704 0.80 ALDH1A1 (0.56) SMN1; SMN2KMT2AALDH1A1KDM4ETHRB
SCHEMBL4002344 0.77 HSD11B1 (0.61) KMT2AALDH1A1KDM4ETHRBATM

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-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
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
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US 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 SMN1; SMN2 1213/4885KMT2A 2169/4885ALDH1A1 88/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 SMN1; SMN2 1213/4885KMT2A 2169/4885ALDH1A1 88/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 SMN1; SMN2 1699/4885KMT2A 1792/4885ALDH1A1 193/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 SMN1; SMN2 1213/4885KMT2A 2169/4885ALDH1A1 88/4885

“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.