Sugi Predict

Sugi Predict / Compounds / SCHEMBL4119980

SCHEMBL4119980

SCHEMBL4119980

Cc1cc(F)ccc1-c1nc(N2CCNCC2)ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.42
▸ CYP1A2 P05177 12/20 0.42
▸ CYP3A4 P08684 10/20 0.42
▸ HSD17B10 Q99714 10/20 0.42
▸ USP2 O75604 9/20 0.42
▸ HIF1A Q16665 9/20 0.42
▸ CYP2C9 P11712 8/20 0.42
▸ CYP2C19 P33261 7/20 0.42
▸ TSHR P16473 5/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CASP1 P29466 11/20 0.41
▸ CASP7 P55210 11/20 0.41
▸ GLA P06280 3/20 0.41
▸ TP53 P04637 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ ABL1 P00519 1/20 0.41

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 SCHEMBL6016696 0.99 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
Methylpiperazine SCHEMBL6016447 0.93 TACR1 (0.46) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
SCHEMBL6016520 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
SCHEMBL4130912 0.88 TACR1 (0.50) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
Piperazine SCHEMBL6016518 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
SCHEMBL4124843 0.87 PIK3CA (0.49) ALDH1A1CYP1A2CYP3A4HSD17B10HIF1A
SCHEMBL6016700 0.87 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
SCHEMBL4123893 0.85 TACR1 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
Piperazine SCHEMBL6016563 0.84 TACR1 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
Methylpiperazine SCHEMBL6016589 0.83 TACR1 (0.40) ALDH1A1CYP1A2CYP3A4HSD17B10USP2

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 2796/4885CYP1A2 2551/4885CYP3A4 2669/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885CYP3A4 3086/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885CYP3A4 3086/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ALDH1A1 2796/4885CYP1A2 2551/4885CYP3A4 2669/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885CYP3A4 3086/4885

“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.