SCHEMBL313802

SCHEMBL313802

BrCc1cccc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 3/20 0.63
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
TP53 P04637 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
ALOX15 P16050 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
HTT P42858 2/20 0.63
ALPL P05186 1/20 0.63
HSP90AA1 P07900 1/20 0.63
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
MAPK1 P28482 1/20 0.63
METAP1 P53582 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL3167663 0.85 CCR1 (0.48) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL14732968 0.85 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL9146011 0.83 CCR1 (0.46) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL14095574 0.83 KDM4E (0.61) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL18769070 0.82 KDM4E (0.65) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL13596181 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL20863011 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL2720567 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL2085837 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL15217633 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 US disclosed
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 US disclosed
US-10648985-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2020-05-12 US disclosed
US-10648985-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2020-05-12 US disclosed
US-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation 2019-03-14 US disclosed
US-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation 2019-03-14 US disclosed
EP-2966061-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2017-05-03 EP disclosed
EP-2966061-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2017-05-03 EP disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
EP-2133335-B1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2011-09-28 EP disclosed
EP-2133335-B1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2011-09-28 EP disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2133335-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR Otsuka Chemical Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-2133335-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR Otsuka Chemical Co., Ltd. (JP) 2009-12-16 EP disclosed
US-4598073-A Certain polycyclo-palladium-bipyridine complexes having anti-tumor activity RESEARCH CORPORATION (US) 1986-07-01 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 (5 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-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR SGPL1, SMPD1, SPHK1 KDM4E 2512/4885SMN1; SMN2 1398/4885LMNA 1776/4885
US-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIG3, LIG1, HLCS KDM4E 2864/4885SMN1; SMN2 3351/4885LMNA 3493/4885
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS KDM4E 2864/4885SMN1; SMN2 3351/4885LMNA 3493/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS KDM4E 2864/4885SMN1; SMN2 3351/4885LMNA 3493/4885
US-10648985-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS KDM4E 2864/4885SMN1; SMN2 3351/4885LMNA 3493/4885

“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.