SCHEMBL2205366

SCHEMBL2205366

c1cc(N2CCCCC2)ccn1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.95
ADRB2 P07550 1/20 0.61
NCF1 P14598 1/20 0.61
PLD1 Q13393 1/20 0.61
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL48987 1.00 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
SCHEMBL30575196 1.00 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
SCHEMBL10648775 1.00 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
Hydrochloric Acid SCHEMBL27847995 0.98 CHKA (0.91) CHKAADRB2NCF1PLD1ALDH1A1
SCHEMBL49273 0.97 CHKA (1.00) CHKAADRB2NCF1PLD1ALDH1A1
Hydrochloric Acid SCHEMBL591914 0.95 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
Iodide SCHEMBL14249446 0.95 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
Hydrochloric Acid SCHEMBL29467719 0.95 CHKA (0.95) CHKAADRB2NCF1PLD1ALDH1A1
SCHEMBL19468905 0.92 CHKA (0.90) CHKAADRB2NCF1PLD1ALDH1A1
Pyridine SCHEMBL10356666 0.91 CHKA (0.79) CHKAADRB2NCF1PLD1ALDH1A1

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
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 US disclosed
EP-3374348-B1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2021-11-24 EP disclosed
US-10550093-B2 Third generation taxoids and methods of using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-04 US disclosed
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2018-11-15 US disclosed
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-07-12 US disclosed
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 US disclosed
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 EP disclosed
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 US disclosed
US-7981926-B2 Fluorotaxoids RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-07-19 US disclosed
US-20090118355-A1 Fluorotaxoids RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2009-05-07 US disclosed
WO-2007021957-A2 FLUOROTAXOIDS RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-02-22 WO disclosed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 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 (6 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-20090118355-A1 Fluorotaxoids FAU, ARF5, ARFGEF1 CHKA 2413/4885ADRB2 3010/4885NCF1 600/4885
US-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A CHKA 2363/4885ADRB2 2712/4885NCF1 1522/4885
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same CBR3, TUBB3, CBX3 CHKA 204/4885ADRB2 1348/4885NCF1 1666/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 CHKA 1156/4885ADRB2 2211/4885NCF1 2279/4885
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ADGRF1, FCGR3B, FCGR2A CHKA 2363/4885ADRB2 2712/4885NCF1 1522/4885
US-10550093-B2 Third generation taxoids and methods of using same CBR3, TUBB3, CBX3 CHKA 204/4885ADRB2 1348/4885NCF1 1666/4885

“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.