SCHEMBL743578

SCHEMBL743578

Cc1cc(C(c2ccccc2)c2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MAPT P10636 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
S100B P04271 1/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL29278568 1.00 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL22044330 0.91 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5166514 0.89 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL30749457 0.89 CYP3A4 (0.54) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL14878840 0.87 CYP3A4 (0.35) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5495313 0.86 ALDH1A1 (0.50) CYP3A4TDP1ALDH1A1TSHRMAPK1
SCHEMBL31409207 0.86 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL13070208 0.86 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL109819 0.86 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL30602820 0.86 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TSHRSMN1; 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300975-B Low-pathogenicity mutant strain of pogostemon cablin ralstonia solanacearum and application thereof 广州中医药大学(广州中医药研究院) 2022-06-14 CN claimed
CN-112300975-A Low-pathogenicity mutant strain of pogostemon cablin ralstonia solanacearum and application thereof 广州中医药大学(广州中医药研究院) 2021-02-02 CN claimed
CN-112300975-B Low-pathogenicity mutant strain of pogostemon cablin ralstonia solanacearum and application thereof 广州中医药大学(广州中医药研究院) 2022-06-14 CN disclosed
CN-112226384-B Pathogenic strain causing patchouli bacterial wilt and application thereof 广州中医药大学(广州中医药研究院) 2022-05-10 CN disclosed
CN-112300975-A Low-pathogenicity mutant strain of pogostemon cablin ralstonia solanacearum and application thereof 广州中医药大学(广州中医药研究院) 2021-02-02 CN disclosed
CN-112226384-A Pathogenic strain causing patchouli bacterial wilt and application thereof 广州中医药大学(广州中医药研究院) 2021-01-15 CN disclosed
US-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-04 US disclosed
EP-3659996-A1 NOVEL (POLY)AMINE COMPOUND, RESIN, AND CURED PRODUCT Mitsubishi Gas Chemical Company, Inc. (JP) 2020-06-03 EP disclosed
EP-2049599-B1 BASIC BISAZO COMPOUNDS ARCHROMA IP GMBH (CH) 2017-02-22 EP disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
EP-2251387-A1 Acidic azo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251383-A1 Organic compounds Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251384-A1 Pyrazolone monoazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251383-A1 Organic compounds Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2163587-A1 Acid dyes CLARIANT INTERNATIONAL LTD. (CH) 2010-03-17 EP disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
EP-2078737-A1 Basic monoazo compounds Clariant International Ltd. (CH) 2009-07-15 EP disclosed
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 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 (1 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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT PAM, CBR1, KDM1A CYP3A4 1300/4885TDP1 2589/4885ALDH1A1 276/4885

“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.