SCHEMBL1765101

SCHEMBL1765101

CCN(CC)C(C)NC(=O)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.41
FOLH1 Q04609 9/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL27558537 0.82 PGR (0.56) ALDH1A1RAB9AHPGDHTTNPC1
SCHEMBL3970818 0.81 PGR (0.39) ALDH1A1RAB9AHPGDHTTHRH3
SCHEMBL7381990 0.79 MEN1 (0.34) ALDH1A1HTTTAS1R3TAS1R1PGR
SCHEMBL3329577 0.79 CA2 (0.61)
SCHEMBL19296965 0.77 MLYCD (0.59) ALDH1A1HPGDHRH3LMNA
SCHEMBL8227509 0.74 THRA (0.49) ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL11263668 0.74 KMT2A (0.55) ALDH1A1RAB9AHTTNPC1LMNA
SCHEMBL27745008 0.73 HTT (0.47) ALDH1A1RAB9AHPGDHTTFOLH1
SCHEMBL8227512 0.71 RAB9A (0.41) ALDH1A1RAB9AHPGDHRH3NPC1
SCHEMBL14786715 0.71 TAS1R3 (0.43) RAB9AHTTFOLH1NPC1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110123602-A1 MOLECULAR LYMPHATIC MAPPING OF SENTINEL LYMPH NODES HOON DAVE S B 2011-05-26 US disclosed
US-7897336-B2 Using a dye or radioactive tracer in conjunction with nucleic acid marker; cancer diagnosis and prognosis; drug delivery, gene therapy, activation of tumor immunity and inhibiting metastasis JOHN WAYNE CANCER INSTITUTE (US) 2011-03-01 US disclosed
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
US-20060251574-A1 HSP90 ligand selected from purines, ansamycins, radicicol, zearalanols, ATP analogs, indoles, chalcones, and benzimidazoles, derivatized with an imaging agent, radioactive material, or cytotoxic agent; preferably a geldanamycin derivatized with a radionuclide CONFORMA THERAPEUTICS CORPORATION 2006-11-09 US disclosed
EP-1560924-A4 MOLECULAR LYMPHATIC MAPPING OF SENTINEL LYMPH NODES WAYNE JOHN CANCER INST (US) 2006-05-31 EP disclosed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 US disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP disclosed
EP-1560924-A2 MOLECULAR LYMPHATIC MAPPING OF SENTINEL LYMPH NODES John Wayne Cancer Institute (US) 2005-08-10 EP disclosed
US-20050142556-A1 Molecular lymphatic mapping of sentinel lymph nodes JOHN WAYNE CANCER INSTITUTE 2005-06-30 US disclosed
US-6815170-B1 FOR PROGNOSIS/DIAGNOSIS/THERAPY OF CANCERS USING CARBON BLACK ADMINISTRATION AND DETECTING ACCUMULATION IN TUMOR TISSUES JOHN WAYNE CANCER INSTITUTE 2004-11-09 US disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 WO disclosed
WO-2004016154-A2 MOLECULAR LYMPHATIC MAPPING OF SENTINEL LYMPH NODES JOHN WAYNE CANCER INSTITUTE (US) 2004-02-26 WO disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 WO disclosed
US-5919934-A BISAMINOTHIOL AND AMINO COMPOUNDS WITH APPENDED PHARMACOPHORES, METAL COMPLEXES OF THESE COMPOUNDS; THE GEORGE WASHINGTON UNIVERSITY (US) 1999-07-06 US disclosed
US-5911970-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-06-15 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 (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-20060251574-A1 HSP90 ligand selected from purines, ansamycins, radicicol, zearalanols, ATP analogs, indoles, chalcones, and benzimidazoles, derivatized with an imaging agent, radioactive material, or cytotoxic agent; preferably a geldanamycin derivatized with a radionuclide HSP90B1, CDC37, HSP90AB1 ALDH1A1 1481/4885RAB9A 1650/4885HPGD 1009/4885
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 ALDH1A1 589/4885RAB9A 2022/4885HPGD 1238/4885
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 ALDH1A1 3537/4885RAB9A 2043/4885HPGD 1043/4885

“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.