Sugi Predict

Sugi Predict / Compounds / SCHEMBL2234404

SCHEMBL2234404

SCHEMBL2234404

c1ccc(N(c2ccc(-c3cc4c(s3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)sc3c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)sc43)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.47
▸ CYP1B1 Q16678 5/20 0.47
▸ CYP1A2 P05177 3/20 0.43
▸ SIGMAR1 Q99720 6/20 0.38
▸ APP P05067 3/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTP4A3 O75365 1/20 0.33
▸ PTP4A2 Q12974 1/20 0.33
▸ PTP4A1 Q93096 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL12348843 0.87 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2SIGMAR1APP
SCHEMBL2233095 0.85 APP (0.47) CYP1A1CYP1B1CYP1A2APPNPC1
SCHEMBL18590871 0.84 APP (0.41) CYP1A1CYP1B1CYP1A2SIGMAR1APP
SCHEMBL14018333 0.84 APP (0.52) CYP1A1CYP1B1CYP1A2SIGMAR1APP
SCHEMBL6481487 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2
SCHEMBL75887 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2
SCHEMBL23047 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2
SCHEMBL15807471 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2
SCHEMBL6123830 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2
SCHEMBL76513 0.83 SIGMAR1 (0.46) CYP1A2SIGMAR1APPMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361915-B1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF NIPPON KAYAKU KK (JP) 2015-01-28 — — EP disclosed
EP-2361915-B1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF NIPPON KAYAKU KK (JP) 2015-01-28 — — EP disclosed
US-8313671-B2 Heterocyclic compound and use thereof HIROSHIMA UNIVERSITY (JP) 2012-11-20 — — US disclosed
US-8313671-B2 Heterocyclic compound and use thereof HIROSHIMA UNIVERSITY (JP) 2012-11-20 — — US disclosed
US-8313671-B2 Heterocyclic compound and use thereof HIROSHIMA UNIVERSITY (JP) 2012-11-20 — — US disclosed
EP-2361915-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF Hiroshima University (JP) 2011-08-31 — — EP disclosed
US-20110204295-A1 Novel Heterocyclic Compound And Use Thereof HIROSHIMA UNIVERSITY (JP) 2011-08-25 — — US disclosed
US-20110204295-A1 Novel Heterocyclic Compound And Use Thereof HIROSHIMA UNIVERSITY (JP) 2011-08-25 — — US disclosed
US-20110204295-A1 Novel Heterocyclic Compound And Use Thereof HIROSHIMA UNIVERSITY (JP) 2011-08-25 — — US disclosed
WO-2010058833-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 国立大学法人広島大学 (JP) 2010-05-27 — — 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 (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-20110204295-A1 Novel Heterocyclic Compound And Use Thereof SCLY, C9, C1S CYP1A1 119/4885CYP1B1 199/4885CYP1A2 830/4885

“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.