SCHEMBL508802

SCHEMBL508802

O=C(Cl)C=CCN1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HSP90AA1 P07900 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL508801 1.00 MAPT (0.34) MAPTALDH1A1GAAPOLBELANE
SCHEMBL24041 0.98 MAPT (0.38) MAPTALDH1A1GAAPOLBELANE
SCHEMBL24042 0.98 MAPT (0.38) MAPTALDH1A1GAAPOLBELANE
Hydrochloric Acid SCHEMBL18979114 0.96 ELANE (0.36) MAPTALDH1A1GAAPOLBELANE
SCHEMBL2228719 0.96 ELANE (0.31) MAPTALDH1A1GAAPOLBELANE
SCHEMBL3485834 0.96 ELANE (0.31) MAPTALDH1A1GAAPOLBELANE
SCHEMBL2228544 0.82 KDM4E (0.42) MAPTALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL20893359 0.82 PAOX (0.38) MAPTALDH1A1POLBCYP1A2SMN1; SMN2
SCHEMBL2228548 0.82 KDM4E (0.42) MAPTALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL20893432 0.80 MCHR1 (0.35) ALDH1A1POLBSMN1; 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
WO-2022194265-A1 QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND 北京赛特明强医药科技有限公司 2022-09-22 WO disclosed
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-05-09 US disclosed
EP-3470415-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-04-17 EP disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 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 (3 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 MAPT 3446/4885ALDH1A1 3156/4885GAA 3177/4885
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF FGFR1, FGFR3, FGFR4 MAPT 2508/4885ALDH1A1 697/4885GAA 1650/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MAPT 3446/4885ALDH1A1 3156/4885GAA 3177/4885

“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.