SCHEMBL6722121

SCHEMBL6722121

O=C1CCc2ccc3ccccc3c2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL28986962 0.84 NPC1 (0.59) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2905322 0.84 AHR (0.49) HSD17B10LMNACA9CA12CA1
SCHEMBL28732081 0.80 NPC1 (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30893024 0.77 CYP11B1 (0.44) MAPK12KDM4ECYP2D6CYP2C9CYP11B1
SCHEMBL1287806 0.74 CA12 (0.47) KDM4EHSD17B10LMNACYP11B1CYP11B2
SCHEMBL31668742 0.72 HSD17B10 (0.42) HSD17B10CYP2D6CA9CA12CA1
SCHEMBL634543 0.72 HSD17B10 (0.42) HSD17B10CYP2D6CA9CA12CA1
SCHEMBL8944351 0.71 CYP2C19 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7323916 0.71 ANPEP (0.41) HSD17B10LMNACA9CA12CA1
SCHEMBL16254014 0.71 HSD17B10 (0.46) HSD17B10LMNACA9CA12CA1

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-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US claimed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US claimed
US-6537823-B1 Use in determination of adulterants in illicit drug screening samples as a means of detecting false negative results SCITECK DIAGNOSTICS, INC. 2003-03-25 US claimed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US claimed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 US claimed
CN-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 CN disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
CN-111587239-A Method for producing lactam compound and lactam compound produced by same 基础科学研究院 2020-08-25 CN disclosed
US-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US disclosed
US-6537823-B1 Use in determination of adulterants in illicit drug screening samples as a means of detecting false negative results SCITECK DIAGNOSTICS, INC. 2003-03-25 US disclosed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US disclosed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 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-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY SQLE, COASY, DHPS NPC1 3709/4885MAPK13 4250/4885MAPK12 3592/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 NPC1 4155/4885MAPK13 4368/4885MAPK12 4588/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS NPC1 3709/4885MAPK13 4250/4885MAPK12 3592/4885

“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.