SCHEMBL3666841

SCHEMBL3666841

O=[C]N(C(=O)O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 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
SCHEMBL7904906 0.76 KMT2A (0.54) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL935444 0.76 HTT (0.54) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL6961658 0.76 KDM4E (0.39) TSHRPOLBLMNAL3MBTL1ALDH1A1
SCHEMBL2954353 0.75 TSHR (0.51) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL5113337 0.74 CYP2D6 (0.42) TSHRPOLBLMNAP4HTMALDH1A1
SCHEMBL6976077 0.74 ALDH1A1 (0.49) TSHRPOLBLMNATRPM8ALDH1A1
SCHEMBL19668416 0.73 TSHR (0.54) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL243741 0.73 POLB (0.51) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL15348824 0.73 TSHR (0.50) TSHRPOLBLMNANAPRTP4HTM
SCHEMBL9183264 0.73 ALDH1A1 (0.44) TSHRPOLBLMNANAPRTP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
EP-0581501-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5444057-A FOR TREATING BACTERIAL INFECTIONS ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0581501-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 TSHR 1795/4885POLB 1521/4885LMNA 1156/4885

“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.