SCHEMBL4467765

SCHEMBL4467765

F[C]1Cc2ccccc2S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 3/20 0.36
NOX1 Q9Y5S8 2/20 0.36
CYP1A2 P05177 2/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 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
Thioxanthene SCHEMBL8717 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL29398766 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL27670993 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28542371 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL27774542 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL18311802 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28751085 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28315422 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL31106427 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28061456 0.77 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885HPGD 2158/4885KDM4E 2790/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG ALDH1A1 2467/4885HPGD 2076/4885KDM4E 2317/4885

“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.