SCHEMBL7220039

SCHEMBL7220039

CCN(CC)CCNC(=O)c1cc(I)cc2c1OCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
ADRA2A P08913 3/20 0.40
CYP2D6 P10635 3/20 0.40
DRD3 P35462 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
SLC22A1 O15245 2/20 0.40
ACHE P22303 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
MPO P05164 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD4 P21917 1/20 0.40

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 SCHEMBL11267099 0.69 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10401029 0.68 HTR3A (0.47) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL20247440 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL7279312 0.68 DRD2 (0.56) ALDH1A1KDM4ESMN1; SMN2ADRA2ACYP2D6
SCHEMBL11268155 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2ADRA2A
SCHEMBL1209977 0.66 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL3639066 0.66 PARP1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2HTR4
SCHEMBL1211688 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL2442303 0.66 KDM4E (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2CYP2D6
SCHEMBL1209964 0.66 LMNA (0.72) ALDH1A1SMN1; SMN2KMT2ALMNASLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6517811-B2 Diagnosing a mammal for presence of a tumor by administering compounds such as 125-I-(2-piperidinylaminoethyl)-4-iodobenzamide which have an affinity for cell surface sigma receptors RESEARCH CORPORATION TECHNOLOGIES, INC. 2003-02-11 US disclosed
US-6447748-B1 Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-09-10 US disclosed
US-20010006619-A1 Compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2001-07-05 US disclosed
US-6015543-A DIAGNOSIS OF TUMORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-01-18 US disclosed
US-5993777-A Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-11-30 US disclosed
US-5911970-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-06-15 US disclosed
WO-1996032968-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1996-10-24 WO disclosed
EP-0650372-A4 COMPOUNDS FOR CANCER IMAGING AND THERAPY. JOHN CHRISTY S (US) 1996-07-03 EP disclosed
EP-0650372-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1995-05-03 EP disclosed
WO-1994026314-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1994-11-24 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 (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-20010006619-A1 Compounds for cancer imaging and therapy SIGMAR1, TMEM97, ADRB3 ALDH1A1 713/4885KDM4E 4422/4885HPGD 1992/4885

“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.