SCHEMBL16599028

SCHEMBL16599028

O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.78
▸ HSD17B10 Q99714 2/20 0.78
▸ FABP1 P07148 1/20 0.66
▸ FABP6 P51161 1/20 0.66
▸ GRIN2B Q13224 1/20 0.66
▸ NR1H4 Q96RI1 1/20 0.61
▸ LMNA P02545 4/20 0.61
▸ HTT P42858 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ FAAH O00519 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 1/20 0.58

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
SCHEMBL17954124 0.84 GRIN2B (0.62) ALDH1A1HSD17B10GRIN2BSMN1; SMN2FAAH
Befuraline SCHEMBL30036410 0.84 GRIN2B (0.91) ALDH1A1GRIN2BLMNATSHRSMN1; SMN2
Befuraline SCHEMBL499156 0.84 GRIN2B (0.91) ALDH1A1GRIN2BLMNATSHRSMN1; SMN2
SCHEMBL4991177 0.83 GRIN2B (0.77) ALDH1A1GRIN2BSMN1; SMN2MAPT
Befuraline SCHEMBL4320804 0.83 GRIN2B (0.88) ALDH1A1GRIN2BLMNATSHRSMN1; SMN2
SCHEMBL4750999 0.82 HTR2B (0.67) ALDH1A1HSD17B10KDM4E
SCHEMBL13546093 0.80 FABP1 (1.00) ALDH1A1FABP1FABP6NR1H4LMNA
SCHEMBL16599328 0.79 LMNA (0.64) ALDH1A1HSD17B10FABP1FABP6GRIN2B
SCHEMBL6501271 0.79 GRIN2B (0.70) ALDH1A1GRIN2BSMN1; SMN2MAPT
SCHEMBL27663681 0.78 ALDH1A1 (0.70) ALDH1A1FABP1FABP6LMNAHTT

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-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
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 ALDH1A1 4277/4885HSD17B10 3712/4885FABP1 1187/4885

“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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