SCHEMBL4124274

SCHEMBL4124274

O=C(O)c1cnc(N2CCNCC2)nc1-c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.43
CYP1A2 P05177 13/20 0.43
HSD17B10 Q99714 12/20 0.43
CASP1 P29466 11/20 0.43
CASP7 P55210 10/20 0.43
HIF1A Q16665 10/20 0.43
HPGD P15428 8/20 0.43
CYP2C9 P11712 8/20 0.43
CYP2C19 P33261 8/20 0.43
GLA P06280 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 12/20 0.42
USP2 O75604 9/20 0.42
ALOX15 P16050 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
HTR6 P50406 1/20 0.40
CYP2D6 P10635 3/20 0.40
KDM4E B2RXH2 1/20 0.39
PTPN11 Q06124 1/20 0.39
TP53 P04637 4/20 0.39

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
Methylpiperazine SCHEMBL6016457 0.92 TACR1 (0.43) ALDH1A1CYP1A2HSD17B10CASP1CASP7
Morpholine SCHEMBL6016655 0.89 PTPN11 (0.47) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL6016368 0.86 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL4133710 0.86 PTPN11 (0.52) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL4118986 0.86 TACR1 (0.47) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL4123893 0.86 TACR1 (0.47) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL4120279 0.86 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10CASP1CASP7
Piperazine SCHEMBL6016563 0.85 TACR1 (0.47) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL4125241 0.85 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10CASP1CASP7
Piperazine SCHEMBL6016442 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10CASP1CASP7

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 2551/4885HSD17B10 4807/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885HSD17B10 4832/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885HSD17B10 4832/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ALDH1A1 2796/4885CYP1A2 2551/4885HSD17B10 4807/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885CYP1A2 2992/4885HSD17B10 4832/4885

“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.