SCHEMBL3620743

SCHEMBL3620743

Cc1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.48
▸ CTSL P07711 2/20 0.48
▸ PTGES O14684 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP19A1 P11511 5/20 0.47
▸ POLB P06746 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ PIN1 Q13526 2/20 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
SCHEMBL8009518 0.89 MAPT (0.52) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL14484687 0.87 MAPT (0.51) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL1137268 0.87 PTGES (0.57) CTSVCTSLPTGESMAPTMEN1
SCHEMBL13504298 0.87 CTSV (0.54) CTSVCTSLPTGESMAPTMEN1
SCHEMBL810439 0.85 PTGES (0.57) CTSVCTSLPTGESMAPTMEN1
SCHEMBL30699715 0.85 PTGES (0.57) CTSVCTSLPTGESMAPTMEN1
SCHEMBL31664124 0.84 MEN1 (0.54) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL21070850 0.84 MEN1 (0.54) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL6097716 0.84 PTGES (0.54) CTSVCTSLPTGESMAPTMEN1
SCHEMBL7426704 0.84 PTGES (0.51) CTSVCTSLPTGESMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 — — EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 — — US disclosed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 — — EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 — — US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 — — WO disclosed
EP-0505322-B1 Aminoguanidines CIBA GEIGY AG (CH) 1998-09-09 — — EP disclosed
US-5510353-A TREATING IRRITABLE BOWEL SYNDROME, GASTROESOPHAGEAL REFLUX DISEASE, CONSTIPATION, MIGRAINE HEADACHES SANDOZ LTD. (CH) 1996-04-23 — — US disclosed
EP-0505322-A1 Aminoguanidines SANDOZ LTD. (CH) 1992-09-23 — — 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 (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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A CTSV 3255/4885CTSL 2336/4885PTGES 679/4885

“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.

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