SCHEMBL6786485

SCHEMBL6786485

N=C(N)N/N=C1/CCCc2c1ccn2S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 2/20 0.38
GAA P10253 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR6 P50406 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
MMP16 P51512 1/20 0.32
ADAM17 P78536 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL6786487 1.00 PARL (0.38) PARLGAAALDH1A1HTR6MMP2
SCHEMBL3325726 0.94 ATP4A (0.35) PARLGAAALDH1A1HTR6NPC1
SCHEMBL8225266 0.94 ATP4A (0.35) PARLGAAALDH1A1HTR6NPC1
SCHEMBL3325730 0.94 ATP4A (0.35) PARLGAAALDH1A1HTR6NPC1
Hydrochloric Acid SCHEMBL6904335 0.93 ATP4A (0.37) PARLGAAALDH1A1HTR6NPC1
Hydrochloric Acid SCHEMBL6904332 0.93 ATP4A (0.37) PARLGAAALDH1A1HTR6NPC1
SCHEMBL6783699 0.88 ALDH1A1 (0.42) GAAALDH1A1MMP2F2PRSS1
SCHEMBL6783702 0.88 ALDH1A1 (0.42) GAAALDH1A1MMP2F2PRSS1
Hydrochloric Acid SCHEMBL7687767 0.73 CA1 (0.37) GAAALDH1A1HTR6MMP2RAB9A
Hydrochloric Acid SCHEMBL7687768 0.73 CA1 (0.37) GAAALDH1A1HTR6MMP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727270-B2 PSYCHOLOGICAL, SEXUAL, EATING, AND SLEEP DISORDERS; ANXIOLYTIC, ANTIEPILEPTIC, ANTIDEPRESSANT AGENTS; OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINES; COGNITION ACTIVATORS; ALZHEIMER*S AND PARKINSON*S TREATMENT WYETH 2004-04-27 US claimed
US-20030203895-A1 Pyrrolylalkylidene-hydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-10-30 US claimed
WO-2003068740-A1 PYRROLYLALKYLIDENE-HYDRAZINECARBOXIMIDAMIDE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-08-21 WO claimed
US-6727270-B2 PSYCHOLOGICAL, SEXUAL, EATING, AND SLEEP DISORDERS; ANXIOLYTIC, ANTIEPILEPTIC, ANTIDEPRESSANT AGENTS; OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINES; COGNITION ACTIVATORS; ALZHEIMER*S AND PARKINSON*S TREATMENT WYETH 2004-04-27 US disclosed
US-20030203895-A1 Pyrrolylalkylidene-hydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-10-30 US disclosed
WO-2003068740-A1 PYRROLYLALKYLIDENE-HYDRAZINECARBOXIMIDAMIDE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-08-21 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-20030203895-A1 Pyrrolylalkylidene-hydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C PARL 2592/4885GAA 3075/4885ALDH1A1 676/4885

“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.