Sugi Predict

Sugi Predict / Compounds / SCHEMBL6502052

SCHEMBL6502052

SCHEMBL6502052

O=NN1CCOCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM1A O60341 5/20 0.37
▸ BCHE P06276 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11442928 0.78 ALDH1A1 (0.40) ALDH1A1ALOX12MAPTTSHRNPC1
SCHEMBL2344277 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15143883 0.74 ACHE (0.42) ALDH1A1KDM1AMEN1KMT2AUSP2
SCHEMBL11436328 0.74 HTR2C (0.37) ALDH1A1KDM1AMEN1KMT2AUSP2
SCHEMBL29933410 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1437753 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6494265 0.73 LMNA (0.35) ALDH1A1KDM1ABCHEMEN1KMT2A
SCHEMBL18650412 0.72 ALDH1A1 (0.40) ALDH1A1BCHEMEN1KMT2AUSP2
SCHEMBL24721490 0.72 ALDH1A1 (0.42) ALDH1A1KDM1AMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL11436627 0.71 LMNA (0.34) ALDH1A1KDM1ABCHEMEN1KMT2A

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-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 — — US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 — — US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 — — US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 — — EP disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885KDM1A 1593/4885BCHE 2333/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885KDM1A 1593/4885BCHE 2333/4885

“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.