Sugi Predict

Sugi Predict / Compounds / SCHEMBL250436

SCHEMBL250436

SCHEMBL250436

O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ IKZF3 Q9UKT9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12446288 1.00 SLC18A3 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL17226159 1.00 SLC18A3 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL10048505 1.00 SLC18A3 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL3839504 0.89 SLC18A3 (0.44) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL3839500 0.89 SLC18A3 (0.44) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL6659482 0.89 SLC18A3 (0.44) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL5422025 0.86 ALDH1A1 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL20703762 0.86 ALDH1A1 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL8829142 0.86 ALDH1A1 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2
SCHEMBL5422028 0.86 ALDH1A1 (0.46) SLC18A3ALDH1A1CYP1A2TSHRCHRM2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588452-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE Merck Patent GmbH (DE) 2013-05-08 — — EP claimed
US-20130102640-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US claimed
WO-2012000598-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GMBH (DE) 2012-01-05 — — WO claimed
EP-2307376-B1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS MERCK PATENT GMBH (DE) 2015-11-04 — — EP disclosed
US-8889719-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2014-11-18 — — US disclosed
US-8889719-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2014-11-18 — — US disclosed
US-8889719-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2014-11-18 — — US disclosed
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
EP-2588452-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE Merck Patent GmbH (DE) 2013-05-08 — — EP disclosed
US-8404725-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2013-03-26 — — US disclosed
US-8404725-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2013-03-26 — — US disclosed
WO-2012000598-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
WO-2012000598-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
US-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2011-07-28 — — US disclosed
US-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2011-07-28 — — US disclosed
US-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2011-07-28 — — US disclosed
EP-2307376-A1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS Merck Patent GmbH (DE) 2011-04-13 — — EP disclosed
WO-2010017051-A1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS MERCK SERONO S.A. (CH) 2010-02-11 — — 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 (3 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-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MKI67, FGFR1, IGF1R SLC18A3 3891/4885ALDH1A1 406/4885CYP1A2 2644/4885
US-20130102640-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE ADH1C, DEGS1, MAN1B1 SLC18A3 4344/4885ALDH1A1 268/4885CYP1A2 259/4885
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MKI67, FGFR1, IGF1R SLC18A3 3891/4885ALDH1A1 406/4885CYP1A2 2644/4885

“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.