Sugi Predict

Sugi Predict / Compounds / SCHEMBL6353772

SCHEMBL6353772

SCHEMBL6353772

S=C=NCCc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HTR6 P50406 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ MPO P05164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HTR1D P28221 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ CYP2A13 Q16696 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ PMP22 Q01453 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL12949464 0.84 HTR2A (0.56) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL2940909 0.83 MEN1 (0.56) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL13668031 0.81 HTR2A (0.61) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL4985934 0.78 HTR2A (0.77) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL5598639 0.78 HTR2A (0.61) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL4404041 0.78 HTR2A (0.61) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL18595374 0.77 MEN1 (0.49) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL21617322 0.76 HTR2A (0.63) HTR2AHTR6HTR2CCYP1A2CYP2D6
SCHEMBL5522209 0.75 HTR2A (0.67) HTR2ACYP3A4HTR6HTR2CMPO
SCHEMBL31201415 0.75 HTR2A (0.57) HTR2ACYP3A4HTR6HTR2CMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 — — US disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 — — US disclosed
US-8669264-B2 Rutaecarpine derivatives for activating CYP1A2 in a subject LINNET BIOPHARMACEUTICALS, INC. (US) 2014-03-11 — — US disclosed
US-8669264-B2 Rutaecarpine derivatives for activating CYP1A2 in a subject LINNET BIOPHARMACEUTICALS, INC. (US) 2014-03-11 — — US disclosed
US-20120322816-A1 RUTAECARPINE DERIVATIVES FOR ACTIVATING CYP1A2 IN A SUBJECT LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
US-20120322816-A1 RUTAECARPINE DERIVATIVES FOR ACTIVATING CYP1A2 IN A SUBJECT LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
US-20120322813-A1 RUTAECARPINE DERIVATIVES FOR TREATING CAFFEINE TOXICITY LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
US-20120322813-A1 RUTAECARPINE DERIVATIVES FOR TREATING CAFFEINE TOXICITY LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
US-20120322812-A1 RUTAECARPINE DERIVATIVES FOR TREATING INSOMNIA LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
US-20120322812-A1 RUTAECARPINE DERIVATIVES FOR TREATING INSOMNIA LINNET BIOPHARMACEUTICALS INC. 2012-12-20 — — US disclosed
WO-2012173710-A1 RUTAECARPINE DERIVATIVES FOR ACTIVATING CYP1A2 IN A SUBJECT LINNET BIOPHARMACEUTICALS, INC. (US) 2012-12-20 — — WO disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 — — US disclosed
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 — — US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — 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 (6 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R HTR2A 464/4885CYP3A4 203/4885HTR6 172/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 HTR2A 1004/4885CYP3A4 3540/4885HTR6 2745/4885
US-20120322813-A1 RUTAECARPINE DERIVATIVES FOR TREATING CAFFEINE TOXICITY CYP1A2, CYP1A1, CYP2E1 HTR2A 170/4885CYP3A4 5/4885HTR6 357/4885
US-20120322812-A1 RUTAECARPINE DERIVATIVES FOR TREATING INSOMNIA CYP1A2, CYP3A4, CYP3A5 HTR2A 81/4885CYP3A4 2/4885HTR6 114/4885
US-20120322816-A1 RUTAECARPINE DERIVATIVES FOR ACTIVATING CYP1A2 IN A SUBJECT CYP1A2, CYP1A1, CYP2E1 HTR2A 77/4885CYP3A4 4/4885HTR6 233/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 HTR2A 1202/4885CYP3A4 3320/4885HTR6 2806/4885

“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.