SCHEMBL3246350

SCHEMBL3246350

Cc1cccc(OCN)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
AGXT P21549 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOB P27338 2/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL9502972 0.84 AGXT (0.60) AGXTALDH1A1MAOBGAAKMT2A
SCHEMBL30230126 0.83 TAAR1 (0.57) ACHEDRD2DRD4DRD3POLB
SCHEMBL7408051 0.83 TAAR1 (0.57) ACHEDRD2DRD4DRD3POLB
SCHEMBL27465 0.82 DRD2 (0.62) ACHEDRD2DRD4DRD3POLB
SCHEMBL10511421 0.82 ACHE (0.60) ACHEDRD2DRD4ALDH1A1MAOB
SCHEMBL29381067 0.82 DRD2 (0.62) ACHEDRD2DRD4DRD3POLB
SCHEMBL10085645 0.82 DRD2 (0.58) ACHEDRD2DRD4DRD3POLB
SCHEMBL6846945 0.80 DRD2 (0.57) DRD2DRD4DRD3POLBTDP1
SCHEMBL11674802 0.80 DRD2 (0.66) ACHEDRD2DRD4DRD3TDP1
Hydrochloric Acid SCHEMBL10555508 0.80 ACHE (0.58) ACHEDRD2DRD4ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
US-8895680-B2 Redox curing-type nonaqueous curable composition KURARAY NORITAKE DENTAL INC. (JP) 2014-11-25 US disclosed
US-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-09-23 US disclosed
EP-1780223-B1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC (JP) 2010-07-28 EP disclosed
US-20080081889-A1 Free radical monomers, organic peroxide and powdered water soluble reducing compound; high adhesive strength against wetting material; teeth and bone restoration KURARAY MEDICAL INC. (JP) 2008-04-03 US disclosed
EP-1780223-A1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION Kuraray Medical Inc. (JP) 2007-05-02 EP disclosed
US-5395925-A Dyeing SANDOZ LTD. (CH) 1995-03-07 US disclosed
US-5227478-A Textile dyes SANDOZ LTD. (CH) 1993-07-13 US disclosed
EP-0051559-A1 Basic and/or cationic azo compounds free from sulfonic-acid groups SANDOZ AG (CH) 1982-05-12 EP disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 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-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION LPO, CDH1, GPX4 ACHE 1258/4885DRD2 971/4885DRD4 1376/4885

“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.