SCHEMBL6780139

SCHEMBL6780139

COc1cc(C(C)=O)cc(Br)c1Oc1nc(C)nc(N2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
PTGS2 P35354 2/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6774484 0.90 CRHR1 (0.45) TSHRHTTAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6770805 0.90 HTT (0.39) TSHRHTTAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6775737 0.90 KMT2A (0.39) TSHRHTTAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6770576 0.90 KMT2A (0.39) TSHRHTTAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6770815 0.89 KMT2A (0.39) TSHRHTTAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6780509 0.82 MEN1 (0.39) TSHRHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6781376 0.82 MEN1 (0.39) TSHRHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6770540 0.81 MEN1 (0.40) TSHRHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6770527 0.80 CRHR1 (0.45) TSHRSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL6775168 0.80 CRHR1 (0.35) TSHRHTTAPOBEC3AAPOBEC3GSMN1; 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
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US claimed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US claimed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US claimed
US-6818648-B2 PSYCHOLOGICAL DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; EATING DISORDERS; ALCOHOLISM; DRUG ABUSE; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-11-16 US disclosed
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US disclosed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US disclosed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US disclosed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP disclosed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP disclosed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 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 (2 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-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 TSHR 85/4885HTT 515/4885APOBEC3A 2281/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 TSHR 85/4885HTT 486/4885APOBEC3A 2256/4885

“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.