SCHEMBL2432734

SCHEMBL2432734

CC(C)CN(C)c1nc(N)c(C(=O)O)nc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.70
TSHR P16473 4/20 0.70
SLC9A1 P19634 4/20 0.70
CYP2D6 P10635 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
MEN1 O00255 2/20 0.70
GMNN O75496 2/20 0.70
THPO P40225 2/20 0.70
PMP22 Q01453 2/20 0.70
KMT2A Q03164 2/20 0.70
TP53 P04637 2/20 0.70
CYP2C19 P33261 2/20 0.70
BLM P54132 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
SLC9A5 Q14940 9/20 0.48
FTO Q9C0B1 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
PLAU P00749 3/20 0.44
OPRM1 P35372 2/20 0.44

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
SCHEMBL2431417 0.86 CYP1A2 (0.67) CYP1A2TSHRSLC9A1CYP2D6TDP1
5-(N-Methyl-N-Isobutyl)Amiloride SCHEMBL29404271 0.83 CYP1A2 (1.00) CYP1A2TSHRSLC9A1CYP2D6TDP1
5-(N-Methyl-N-Isobutyl)Amiloride SCHEMBL9852472 0.83 CYP1A2 (1.00) CYP1A2TSHRSLC9A1CYP2D6TDP1
5-(N-Methyl-N-Isobutyl)Amiloride SCHEMBL2432777 0.81 CYP1A2 (0.64) CYP1A2TSHRSLC9A1CYP2D6TDP1
SCHEMBL2437669 0.81 TP53 (0.57) CYP1A2TSHRSLC9A1CYP2D6TDP1
SCHEMBL3864469 0.80 CYP1A2 (0.65) CYP1A2TSHRSLC9A1CYP2D6TDP1
SCHEMBL3126877 0.79 TP53 (0.55) CYP1A2TSHRSLC9A1CYP2D6TDP1
SCHEMBL12288540 0.77 TSHR (0.56) CYP1A2TSHRSLC9A1CYP2D6TDP1
SCHEMBL12288494 0.77 TP53 (0.56) CYP1A2TSHRSLC9A1CYP2D6TDP1
Hydrochloric Acid SCHEMBL2430995 0.76 TP53 (0.57) CYP1A2TSHRSLC9A1CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US claimed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 WO claimed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US disclosed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NSF, HAVCR2, ABHD16A CYP1A2 3437/4885TSHR 3280/4885SLC9A1 3272/4885

“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.