SCHEMBL4865817

SCHEMBL4865817

CC(c1ccc(I)cc1)n1cncc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
MAPK1 P28482 1/20 0.56
GABRA1 P14867 7/20 0.53
GABRB2 P47870 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ABCB11 O95342 1/20 0.53
GABRA2 P47869 1/20 0.53
GPBAR1 Q8TDU6 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL16950285 1.00 ALDH1A1 (0.76) ALDH1A1TDP1MAPK1GABRA1GABRB2
Methylethylamine SCHEMBL16950274 0.92 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL16950284 0.90 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL21952118 0.90 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL1081228 0.86 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL11726722 0.86 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL1081229 0.86 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL22370234 0.85 ALDH1A1 (0.76) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL22370231 0.85 ALDH1A1 (0.76) ALDH1A1TDP1MAPK1GABRA1GABRB2
Hydrochloric Acid SCHEMBL1081962 0.85 ALDH1A1 (0.97) ALDH1A1TDP1MAPK1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900278-B1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA UNIV WUERZBURG J MAXIMILIANS (DE) 2020-05-20 EP disclosed
US-9814789-B2 Radiopharmaceutical products for diagnosis and therapy of adrenal carcinoma JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2017-11-14 US disclosed
US-20150328341-A1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA JULIUS-MAXIMILLIANS-UNIVERSITAT WURZBURG (DE) 2015-11-19 US disclosed
EP-2900278-A1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA Julius-Maximilians-Universität Würzburg (DE) 2015-08-05 EP disclosed
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 US disclosed
US-7358369-B2 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents Zolle, Ilse (AT) 2008-04-15 US disclosed
US-7189859-B2 Radiolabelled phenylethyl imidazole carboxylic acid ester derivatives ZOLLE, ILSE (AT) 2007-03-13 US disclosed
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents ZOLLE, ILSE (AT) 2007-02-15 US disclosed
US-20050033060-A1 Radiolabelled phenylethyl imidazole caboxylic acid ester derivatives ZOLLE, ILSE (AT) 2005-02-10 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 (4 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-20150328341-A1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA CYP21A2, HSD17B1, SERPINA6 ALDH1A1 80/4885TDP1 3015/4885MAPK1 3652/4885
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents CDC73, TPD52L2, NTRK1 ALDH1A1 1747/4885TDP1 4397/4885MAPK1 3794/4885
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives PAICS, PIGO, GRPR ALDH1A1 206/4885TDP1 1144/4885MAPK1 3539/4885
US-20050033060-A1 Radiolabelled phenylethyl imidazole caboxylic acid ester derivatives CDC73, BRDT, TEC ALDH1A1 2333/4885TDP1 4422/4885MAPK1 1940/4885

“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.