SCHEMBL5035510

SCHEMBL5035510

O=C(O)C(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM8 O00222 4/20 0.50
GRM4 Q14833 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GRM6 O15303 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.49
KMO O15229 1/20 0.48

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
Water SCHEMBL6057603 0.98 ACP3 (0.54) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL27462574 0.87 ACP3 (0.52) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL7126589 0.87 ALDH1A1 (0.56) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL6627469 0.85 ALDH1A1 (0.54) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL5861774 0.83 ACP3 (0.58) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL27780284 0.81 ALDH1A1 (0.52) ACP3TSHRLMNAALDH1A1HTT
SCHEMBL11304497 0.81 ACP3 (0.56) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL11057509 0.81 ACP3 (0.56) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL5157317 0.81 ACP3 (0.56) ACP3TP53TSHRLMNAALDH1A1
SCHEMBL742437 0.81 ACP3 (0.56) ACP3TP53TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11012238-A None JP disclosed
WO-2024125629-A1 UREIC COMPOUND AND PHARMACEUTICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2024-06-20 WO disclosed
CN-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 CN disclosed
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
CN-103242177-A Preparation method of 2,5-diaminophenethyl alcohol sulfate UNIV ZHEJIANG TECHNOLOGY 2013-08-14 CN disclosed
CN-101698647-B Synthesis method of 2,5-diamino benzene ethanol YIXING XINYU CHEMICAL CO LTD 2012-10-03 CN disclosed
CN-101717342-A Method for synthesizing 2,5-diamino phenyl ethanol CHIZHOU FANGDA SCIENCE & TECHN 2010-06-02 CN disclosed
CN-101698647-A Synthesis method of 2,5-diamino benzene ethanol YIXING XINYU CHEMICAL CO LTD 2010-04-28 CN disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO disclosed
JP-H1112238-A PRODUCTION OF 1-(BETA-HYDROXYETHYL)-2,5-DIAMINOBENZENE OR ITS SALT KAO CORP 1999-01-19 JP disclosed
US-4771062-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 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 (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-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC ACP3 2527/4885TP53 890/4885TSHR 2103/4885

“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.