SCHEMBL4011016

SCHEMBL4011016

O=C(CCl)Nc1ccccc1NC(=O)CCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
BLM P54132 2/20 0.62
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NOD2 Q9HC29 1/20 0.57
HTT P42858 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MITF O75030 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 5/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 1/20 0.52
RNF4 P78317 1/20 0.52
MAPK1 P28482 2/20 0.50
XBP1 P17861 1/20 0.49
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL4604147 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL1272337 0.87 KMT2A (0.70) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL9491515 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL1562128 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL15938090 0.86 HDAC1 (0.66) ALDH1A1MEN1KMT2ABLMMAPK1
SCHEMBL3594939 0.86 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ABLMNPSR1
SCHEMBL31078542 0.86 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ABLMNPSR1
SCHEMBL10896420 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL30613086 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ABLMLMNA
SCHEMBL29105156 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ABLMLMNA

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 10 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
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 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
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP 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 ALDH1A1 88/4885MEN1 2828/4885KMT2A 2169/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MEN1 2828/4885KMT2A 2169/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885MEN1 3823/4885KMT2A 1792/4885

“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.