SCHEMBL7101660

SCHEMBL7101660

CC(C)=C(c1cccc(N)c1)c1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
ESRRA P11474 1/20 0.34
NPC1 O15118 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FYN P06241 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL7100571 0.88 ESRRA (0.42) PBRM1ESRRANPC1MITFLMNA
SCHEMBL7097495 0.85 ESRRA (0.33) PBRM1ESRRANPC1MITFLMNA
SCHEMBL7097292 0.80 ESRRA (0.30) ESRRA
SCHEMBL7097293 0.80 ESRRA (0.30) ESRRA
SCHEMBL7097295 0.80 ESRRA (0.30) ESRRA
SCHEMBL7100550 0.71 CA1 (0.40) CA1CA2CA9HTTALDH1A1
SCHEMBL9125151 0.71 HTT (0.41) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7252794 0.70 CA1 (0.39) CA1CA2CA9CYP19A1CYP11B1
SCHEMBL7098632 0.69 CA1 (0.32) CA1CA2CA9HTT
SCHEMBL7100870 0.69 HTT (0.42) LMNAPOLBCA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 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 (1 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A PBRM1 960/4885ESRRA 1104/4885NPC1 2371/4885

“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.