SCHEMBL7395751

SCHEMBL7395751

O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(I)c1I

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.84
DRD4 P21917 3/20 0.69
POLB P06746 1/20 0.69
TMEM97 Q5BJF2 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
SLC6A12 P48065 4/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MCHR1 Q99705 1/20 0.59

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
SCHEMBL7217989 0.91 SIGMAR1 (1.00) SIGMAR1DRD4POLBTMEM97CYP1A2
SCHEMBL2900272 0.84 SIGMAR1 (0.86) SIGMAR1DRD4POLBTMEM97CYP1A2
SCHEMBL3163809 0.82 DRD4 (1.00) DRD4POLB
SCHEMBL16828026 0.81 KMT2A (0.79) SIGMAR1DRD4POLBTMEM97TSHR
SCHEMBL3959130 0.81 SIGMAR1 (0.73) SIGMAR1DRD4POLBTMEM97CYP1A2
SCHEMBL6956820 0.81 SIGMAR1 (0.73) SIGMAR1DRD4POLBSLC6A12MEN1
SCHEMBL7239441 0.81 CCR3 (0.72) SIGMAR1DRD4POLBTMEM97SLC6A12
SCHEMBL21900251 0.80 POLB (0.74) SIGMAR1DRD4POLBTMEM97CYP1A2
SCHEMBL694949 0.79 SIGMAR1 (0.82) SIGMAR1DRD4POLBTMEM97CYP1A2
SCHEMBL3598112 0.79 L3MBTL1 (0.73) SIGMAR1DRD4POLBTMEM97SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0821594-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1998-02-04 EP disclosed
WO-1996032968-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1996-10-24 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 SIGMAR1 1/4885DRD4 453/4885POLB 3730/4885

“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.