SCHEMBL4513003

SCHEMBL4513003

O=[N+]([O-])c1ccc(Cl)c(CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
TSHR P16473 2/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
VCAM1 P19320 1/20 0.47
RORC P51449 2/20 0.43
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL30001924 0.86 HSD17B10 (0.56) HSD17B10TSHRLMNAALDH1A1KDM4E
SCHEMBL2589891 0.86 HSD17B10 (0.56) HSD17B10TSHRLMNAALDH1A1KDM4E
SCHEMBL1663175 0.86 HSD17B10 (0.60) HSD17B10TSHRLMNAALDH1A1KDM4E
SCHEMBL6295397 0.84 TSHR (0.58) HSD17B10TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL27796780 0.83 HSD17B10 (0.56) HSD17B10LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL28747080 0.81 KMT2A (0.53) HSD17B10LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL8373001 0.81 TSHR (0.55) TSHRALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6291402 0.81 TSHR (0.55) HSD17B10TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL1470136 0.81 TSHR (0.55) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30068941 0.81 TSHR (0.55) HSD17B10TSHRLMNAALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440077-B Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye 上海舒尔发化妆品科技有限公司 2022-07-22 CN disclosed
CN-111440077-A Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye 上海舒尔发化妆品科技有限公司 2020-07-24 CN disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HSD17B10 4746/4885TSHR 2524/4885LMNA 1025/4885

“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.