SCHEMBL2065031

SCHEMBL2065031

c1ccc(NCc2ccc(CNc3ccccc3)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
FFAR1 O14842 3/20 0.64
PTPRF P10586 1/20 0.64
PTPN2 P17706 1/20 0.64
PTPN1 P18031 1/20 0.64
PTPN11 Q06124 1/20 0.64
HTT P42858 1/20 0.64
HIF1A Q16665 1/20 0.58
LTA4H P09960 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL22628164 0.94 HTT (0.71) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
N-Benzylaniline SCHEMBL7840 0.94 HTT (0.71) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
N-Benzylaniline SCHEMBL2176624 0.92 HTT (0.68) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
N-Benzylaniline SCHEMBL357137 0.92 HTT (0.68) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
N-Benzylaniline SCHEMBL3602124 0.92 HTT (0.68) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL19018313 0.91 HTT (0.61) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9798992 0.91 FFAR1 (0.68) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
N-Benzylaniline SCHEMBL10963734 0.90 HTT (0.65) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL1924100 0.89 HTT (0.78) CYP1A2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL1624682 0.89 HTT (0.84) CYP1A2MEN1CYP3A4CYP2C9CYP2C19

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
WO-2023171690-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-09-14 WO disclosed
WO-2023157879-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNING AGENT, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-08-24 WO disclosed
WO-2023120726-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CYRSTAL DISPLAY ELEMENT 日産化学株式会社 2023-06-29 WO disclosed
US-11622916-B2 Photocurable composition excellent in curing depth SHOFU INC. (JP) 2023-04-11 US disclosed
WO-2023048278-A1 WEAKLY ANCHORING LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL DISPLAY ELEMENT, AND POLYMER 日産化学株式会社 2023-03-30 WO disclosed
WO-2022260048-A1 WEAK ANCHORING LIQUID CRYSTAL ALIGNING AGENT, LIQUID CYRSTAL DISPLAY ELEMENT AND COPOLYMER 日産化学株式会社 2022-12-15 WO disclosed
WO-2022196565-A1 LIQUID-CRYSTAL COMPOSITION, LIQUID-CRYSTAL DISPLAY ELEMENT PRODUCTION METHOD, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-09-22 WO disclosed
US-20220287919-A1 PHOTOCURABLE COMPOSITION EXCELLENT IN CURING DEPTH SHOFU INC. (JP) 2022-09-15 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-20100006495-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-14 US disclosed
US-20100006495-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-14 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
WO-2008008854-A9 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2008-03-27 WO disclosed
WO-2008008854-A2 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2008-01-17 WO disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US 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-11622916-B2 Photocurable composition excellent in curing depth ODC1, AOC2, CCNT1 CYP1A2 856/4885MEN1 3523/4885CYP3A4 2742/4885
US-20220287919-A1 PHOTOCURABLE COMPOSITION EXCELLENT IN CURING DEPTH ODC1, AOC2, CCNT1 CYP1A2 862/4885MEN1 3562/4885CYP3A4 2731/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 CYP1A2 4753/4885MEN1 2244/4885CYP3A4 4824/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS CYP1A2 1737/4885MEN1 500/4885CYP3A4 1391/4885
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders CXCR4, CXCL12, CCR5 CYP1A2 4268/4885MEN1 1744/4885CYP3A4 4083/4885

“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.