SCHEMBL4013181

SCHEMBL4013181

O=C(CCl)Nc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ACP1 P24666 2/20 0.53
NNMT P40261 1/20 0.50
XPO1 O14980 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TACR1 P25103 1/20 0.48
GPR35 Q9HC97 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.46
TRPA1 O75762 1/20 0.46
S1PR2 O95136 3/20 0.44
P2RX1 P51575 2/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL263685 0.90 LMNA (0.65) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL3063974 0.84 KMT2A (0.48) LMNAALDH1A1MAPTP2RX1P2RX7
SCHEMBL4224760 0.84 LMNA (0.54) LMNAACP1XPO1ALDH1A1TACR1
SCHEMBL22387603 0.83 MAPT (0.53) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL25797243 0.83 LMNA (0.53) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL20560661 0.81 XPO1 (0.52) LMNAACP1XPO1GPR35HDAC3
SCHEMBL18763045 0.81 NNMT (0.57) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL3620508 0.80 GPR35 (0.58) LMNAACP1XPO1ALDH1A1TACR1
SCHEMBL11738143 0.79 LMNA (0.59) LMNAACP1ALDH1A1TACR1GPR35
SCHEMBL30977688 0.78 MAPT (0.54) LMNAACP1XPO1GPR35HDAC3

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 5 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
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 LMNA 4331/4885ACP1 3831/4885NNMT 611/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 LMNA 4331/4885ACP1 3831/4885NNMT 611/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 LMNA 4410/4885ACP1 4126/4885NNMT 324/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 LMNA 4331/4885ACP1 3831/4885NNMT 611/4885

“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.