Sugi Predict

Sugi Predict / Compounds / SCHEMBL4112334

SCHEMBL4112334

SCHEMBL4112334

O=C(O)c1cnc(N2CCNCC2)nc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 18/20 0.54
▸ CASP1 P29466 17/20 0.54
▸ CASP7 P55210 17/20 0.54
▸ CYP1A2 P05177 17/20 0.54
▸ CYP3A4 P08684 16/20 0.54
▸ HIF1A Q16665 16/20 0.54
▸ USP2 O75604 14/20 0.54
▸ HSD17B10 Q99714 13/20 0.54
▸ CYP2C19 P33261 10/20 0.54
▸ TP53 P04637 8/20 0.54
▸ LMNA P02545 7/20 0.54
▸ MAPK1 P28482 6/20 0.54
▸ TSHR P16473 5/20 0.54
▸ CYP2C9 P11712 14/20 0.53
▸ GLA P06280 5/20 0.53
▸ CYP2D6 P10635 3/20 0.52
▸ HPGD P15428 5/20 0.49
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ MEN1 O00255 1/20 0.44

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
Piperazine SCHEMBL6016590 0.99 ALDH1A1 (0.53) ALDH1A1CASP1CASP7CYP1A2CYP3A4
Methylpiperazine SCHEMBL6016623 0.91 ALDH1A1 (0.48) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL6016398 0.89 ALDH1A1 (0.55) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL4112958 0.85 ALDH1A1 (0.53) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL6016337 0.85 CASP1 (0.55) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL6016593 0.85 CASP1 (0.48) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL4119980 0.83 ALDH1A1 (0.42) ALDH1A1CASP1CASP7CYP1A2CYP3A4
SCHEMBL6016520 0.82 ALDH1A1 (0.44) ALDH1A1CASP1CASP7CYP1A2CYP3A4
Piperazine SCHEMBL6016696 0.82 ALDH1A1 (0.41) ALDH1A1CASP1CASP7CYP1A2CYP3A4
Piperazine SCHEMBL6016518 0.81 ALDH1A1 (0.44) ALDH1A1CASP1CASP7CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US claimed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 — — EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US claimed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US claimed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 — — US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 — — US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 — — US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US disclosed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 — — EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — 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 (5 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 ALDH1A1 2796/4885CASP1 1556/4885CASP7 1984/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CASP1 1386/4885CASP7 1848/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CASP1 1386/4885CASP7 1848/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ALDH1A1 2796/4885CASP1 1556/4885CASP7 1984/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CASP1 1386/4885CASP7 1848/4885

“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.