SCHEMBL1637562

SCHEMBL1637562

Cn1sccc1=O.O=c1[nH]sc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CASP3 P42574 3/20 0.64
MAPT P10636 3/20 0.64
KDM4E B2RXH2 3/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
DDAH1 O94760 1/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
G6PD P11413 2/20 0.40
POLB P06746 1/20 0.38
EP300 Q09472 2/20 0.34
KAT2B Q92831 2/20 0.34
MAOA P21397 1/20 0.34
TP53 P04637 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL29130783 0.88 CASP3 (0.49) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL30205726 0.80 ALDH1A1 (1.00) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL26078 0.80 ALDH1A1 (1.00) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL29356731 0.80 ALDH1A1 (1.00) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL5189266 0.79 CASP3 (0.40) ALDH1A1CASP3MAPTKDM4ELMNA
Methyl Alcohol SCHEMBL4796901 0.78 ALDH1A1 (0.88) ALDH1A1CASP3MAPTKDM4ELMNA
Water SCHEMBL17558061 0.78 ALDH1A1 (0.95) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL19019940 0.78 ALDH1A1 (0.95) ALDH1A1CASP3MAPTKDM4ELMNA
SCHEMBL10354185 0.78 ALDH1A1 (0.95) ALDH1A1CASP3MAPTKDM4ELMNA
Potassium SCHEMBL29386009 0.78 ALDH1A1 (0.95) ALDH1A1CASP3MAPTKDM4ELMNA

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
US-20210178458-A1 Investment Casting Shell Binders and Compositions REMET UK LIMITED (GB) 2021-06-17 US disclosed
EP-3774113-A1 INVESTMENT CASTING SHELL BINDERS AND COMPOSITIONS Remet UK Ltd (GB) 2021-02-17 EP disclosed
US-8178117-B2 Liquid water based agrochemical formulations BASF SE (DE) 2012-05-15 US disclosed
US-7932338-B2 Brominated polymers, and fire retardant articles comprising them BROMINE COMPOUNDS LTD. (IL) 2011-04-26 US disclosed
US-20100016155-A1 Liquid Water Based Agrochemical Formulations BASF SE (DE) 2010-01-21 US disclosed
US-20070167550-A1 Brominated polymers, and fire retardant articles comprising them BROMINE COMPOUNDS LTD. (IL) 2007-07-19 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 (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-20100016155-A1 Liquid Water Based Agrochemical Formulations AQP1, OXSR1, AQP3 ALDH1A1 1238/4885CASP3 723/4885MAPT 2782/4885

“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.