SCHEMBL16599328

SCHEMBL16599328

O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ MAPT P10636 1/20 0.64
▸ GRIN2B Q13224 1/20 0.64
▸ ACACB O00763 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.61
▸ FABP1 P07148 1/20 0.61
▸ FABP6 P51161 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ NR1H4 Q96RI1 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ FAAH O00519 1/20 0.57

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
SCHEMBL17954125 0.85 GRIN2B (0.60) LMNAHSD17B10MAPTGRIN2BACACB
SCHEMBL16598448 0.82 KDM4E (0.66) LMNAHSD17B10MAPTACACBALDH1A1
Hydrochloric Acid SCHEMBL6584348 0.81 GRIN2B (0.88) LMNAHSD17B10GRIN2BALDH1A1KDM4E
SCHEMBL1134958 0.80 GRIN2B (0.75) LMNAGRIN2BALDH1A1SMN1; SMN2HTT
SCHEMBL6231529 0.79 KDM4E (0.74) LMNAHSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16599028 0.79 ALDH1A1 (0.78) LMNAHSD17B10MAPTGRIN2BALDH1A1
Bromide SCHEMBL6230976 0.78 KDM4E (0.72) LMNAHSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27663681 0.77 ALDH1A1 (0.70) LMNAMAPTALDH1A1FABP1FABP6
SCHEMBL30064786 0.76 LMNA (0.75) LMNAHSD17B10MAPTALDH1A1FABP1
SCHEMBL13546093 0.76 FABP1 (1.00) LMNAALDH1A1FABP1FABP6KDM4E

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS LMNA 2951/4885HSD17B10 3712/4885MAPT 3773/4885

“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.

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