SCHEMBL15610703

SCHEMBL15610703

CCN1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.71
▸ ALDH1A1 P00352 6/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ PLA2G1B P04054 1/20 0.67
▸ ATG4B Q9Y4P1 1/20 0.67
▸ KMT2A Q03164 4/20 0.66
▸ HTT P42858 2/20 0.65
▸ CYP2A13 Q16696 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ MAPT P10636 3/20 0.61
▸ GAA P10253 1/20 0.61
▸ CXCR4 P61073 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55
▸ MEN1 O00255 1/20 0.55

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
SCHEMBL11360607 0.90 SIGMAR1 (0.85) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL1852774 0.85 SIGMAR1 (0.71) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL16256924 0.83 KDM4E (0.68) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL9417737 0.82 SIGMAR1 (0.72) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL23851311 0.82 SIGMAR1 (0.72) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL18938500 0.82 SIGMAR1 (0.67) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL13779315 0.82 KMT2A (0.69) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL20353642 0.81 SIGMAR1 (0.71) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
Hydrochloric Acid SCHEMBL11467058 0.81 SIGMAR1 (0.70) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B
SCHEMBL3210628 0.81 ALDH1A1 (0.73) SIGMAR1ALDH1A1KDM4ERAB9APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — US disclosed
US-20140088069-A1 NOVEL ANTIBACTERIAL COMBINATION THERAPY MCMASTER UNIVERSITY (CA) 2014-03-27 — — US disclosed
US-20140088069-A1 NOVEL ANTIBACTERIAL COMBINATION THERAPY MCMASTER UNIVERSITY (CA) 2014-03-27 — — US disclosed
US-20140088069-A1 NOVEL ANTIBACTERIAL COMBINATION THERAPY MCMASTER UNIVERSITY (CA) 2014-03-27 — — 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 (2 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS SIGMAR1 3734/4885ALDH1A1 4640/4885KDM4E 3955/4885
US-20140088069-A1 NOVEL ANTIBACTERIAL COMBINATION THERAPY NCBP2, TPX2, GTPBP4 SIGMAR1 1220/4885ALDH1A1 4803/4885KDM4E 4184/4885

“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.

Send feedback