Sugi Predict

Sugi Predict / Compounds / SCHEMBL6865610

SCHEMBL6865610

SCHEMBL6865610

N#CC1c2ccccc2Sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL7874845 0.80 — —
SCHEMBL13020958 0.80 PIM1 (0.50) PIM1MEN1GAAALOX15KMT2A
SCHEMBL8910756 0.77 CYP2D6 (0.35) PIM1CYP2D6SLC6A2HTR2CMAOA
SCHEMBL6648437 0.73 PIM1 (0.56) PIM1CYP2D6SLC6A2MEN1CYP1A2
SCHEMBL3550306 0.70 HTR2A (0.45) PIM1CYP2D6SLC6A2HTR2CMEN1
SCHEMBL5133396 0.69 MAOA (0.41) CYP2D6SLC6A2HTR2CMAOAMEN1
SCHEMBL16835553 0.69 HTR2C (0.46) CYP2D6SLC6A2HTR2CMAOAMEN1
SCHEMBL904813 0.69 MAOA (0.41) CYP2D6SLC6A2HTR2CMAOAMEN1
SCHEMBL7400164 0.69 HTR2C (0.39) CYP2D6SLC6A2HTR2CMAOAMEN1
SCHEMBL29697456 0.69 MAOA (0.46) CYP2D6SLC6A2HTR2CMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806283-B2 SUCH AS SPIRO(9,10-DIHYDROANTHRACENE)-9,3'-PYRROLIDINE; FOR USE AS ANTIDEPRESSANT AND ANTIANXIETY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2004-10-19 — — US disclosed
US-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 — — US disclosed
US-5844024-A Cyclic diphenylacetonitriles as stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-01 — — US disclosed
US-5710198-A STABILIZERS AGAINST OXIDATION, HEAT RESISTANCE AND PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-20 — — US disclosed
EP-0608198-A1 Cyclic diphenylacetonenitriles as stabilisers CIBA-GEIGY AG (CH) 1994-07-27 — — 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-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof HTR2A, HTR7, HTR1A PIM1 3972/4885GPR84 62/4885CYP2D6 856/4885

“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.