SCHEMBL2605016

SCHEMBL2605016

NC1c2ccccc2-c2c(Br)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HTR2B P41595 6/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 4/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL15366509 0.78 ADORA2A (0.44) HTR2BHTR2AALDH1A1MEN1KMT2A
SCHEMBL19303774 0.77 MAPK1 (0.39) KDM1AHTR2BHTR2CALDH1A1MAPK1
SCHEMBL23443980 0.76 PBRM1 (0.36) KDM1AHTR2BALDH1A1MAPK1MEN1
SCHEMBL9847771 0.76 ALDH1A1 (0.40) HTR2BHTR2CHTR2AALDH1A1MAPK1
SCHEMBL353865 0.75 HTR2A (0.52) KDM1AHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL29444048 0.75 HTR2A (0.52) KDM1AHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL30410319 0.75 HTR2A (0.52) KDM1AHTR2BHTR2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL355946 0.73 HTR2A (0.50) KDM1AHTR2BHTR2APOLBCA1
SCHEMBL22270015 0.73 HTR2A (0.50) HTR2BHTR2AALDH1A1MAPK1MEN1
Water SCHEMBL28455469 0.73 HTR2A (0.50) KDM1AHTR2BHTR2ASLC6A2SLC6A4

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
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 KDM1A 4088/4885HTR2B 3273/4885HTR2C 3462/4885

“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.