SCHEMBL2191981

SCHEMBL2191981

Fc1cc(I)ccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR3C1 P04150 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL856088 0.82 NR3C1 (0.47) TSHRKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12930943 0.79 TMEM97 (0.42) NR1H2NR1H3TSHRKDM4EALDH1A1
SCHEMBL15384643 0.79 NR3C1 (0.49) NR1H2NR1H3TSHRKDM4EALDH1A1
SCHEMBL1906063 0.76 G6PC1 (0.39) NR1H2NR1H3TSHRALDH1A1CYP2C19
SCHEMBL11299583 0.72 TSHR (0.38) TSHRKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL9634037 0.71 CYP3A4 (0.64) NR1H3ALDH1A1SMN1; SMN2CYP3A4NR3C1
SCHEMBL7148219 0.70 TSHR (0.54) TSHRKDM4EALDH1A1CYP3A4CYP2C19
SCHEMBL11271139 0.70 CYP2C19 (0.64) NR1H2NR1H3TSHRALDH1A1SMN1; SMN2
SCHEMBL28842673 0.70 TSHR (0.45) TSHRKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30977574 0.69 ACHE (0.41) TSHRKDM4ESMN1; SMN2HTTNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
CN-101730695-A Aminoacyl prodrugs as an active pharmaceutical ingredient for thromboembolic disorders BAYER HEALTHCARE AG 2010-06-09 CN disclosed
WO-2008155034-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF XDH, OXA1L, PPOX NR1H2 424/4885NR1H3 359/4885TSHR 4286/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT NR1H2 2792/4885NR1H3 2556/4885TSHR 3848/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT NR1H2 1791/4885NR1H3 1622/4885TSHR 2106/4885

“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.