SCHEMBL7103291

SCHEMBL7103291

Cc1c(C(O)c2cn(S(=O)(=O)N(C)C)cn2)cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
PKM P14618 1/20 0.35
GLA P06280 2/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL7105218 0.85 MAPT (0.35) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL7166942 0.79 MEN1 (0.38) TDP1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL7100452 0.77 KMT2A (0.44) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL31040273 0.77 CA12 (0.42) TDP1TSHRMAPTKDM4EMEN1
SCHEMBL7097377 0.76 TDP1 (0.39) TDP1TSHRSMN1; SMN2PKMMAPT
SCHEMBL31531675 0.69 HTT (0.40) TSHRSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4828602 0.69 IDO1 (0.37) TSHRPKMMAPTALDH1A1NPC1
SCHEMBL31040271 0.69 HTT (0.36) ALDH1A1
SCHEMBL3747956 0.68 UGT2B7 (0.39) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7103262 0.67 SMN1; SMN2 (0.34) TDP1SMN1; SMN2MAPTKDM4EMEN1

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 2 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
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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 (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 TDP1 2857/4885TSHR 155/4885SMN1; SMN2 639/4885

“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.