SCHEMBL9939330

SCHEMBL9939330

Cc1cc2c(OCCN3CCCCC3)ccc(Cl)c2nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.55
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
LTA4H P09960 1/20 0.46
HTT P42858 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL9939128 0.81 TSHR (0.53) SMN1; SMN2KDM4ETSHRALDH1A1SIGMAR1
SCHEMBL9938896 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ETSHRALDH1A1TDP1
SCHEMBL20124518 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ETSHRTDP1HTR1D
SCHEMBL22135113 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ETSHRALDH1A1TDP1
SCHEMBL9939448 0.78 AXL (0.45) SMN1; SMN2
SCHEMBL9943213 0.78 KDM4E (0.42) SMN1; SMN2KDM4ETSHRALDH1A1RECQL
SCHEMBL14970479 0.77 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ETSHRALDH1A1TDP1
SCHEMBL9943219 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ETSHRTDP1MEN1
SCHEMBL9912418 0.74 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ETSHRALDH1A1TDP1
SCHEMBL171107 0.74 SMN1; SMN2 (0.60) SMN1; SMN2KDM4ETSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 EP disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP 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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 SMN1; SMN2 3057/4885KDM4E 3456/4885TSHR 2295/4885

“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.