SCHEMBL43322

SCHEMBL43322

CCCN(CCC)C(=O)[N]C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
CA2 P00918 3/20 0.48
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 5/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MLYCD O95822 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
P2RX1 P51575 2/20 0.32

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
SCHEMBL971150 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL4577555 0.85 CA1 (0.52) CA12CA9CA2TSHRALDH1A1
SCHEMBL409740 0.78
SCHEMBL3468211 0.77 CA12 (0.57) CA12CA9CA2TSHRMAPK1
SCHEMBL966667 0.77
SCHEMBL967104 0.77 CA12 (0.55) CA12CA9CA2TSHRALDH1A1
SCHEMBL27988663 0.75 CA12 (0.44) CA12CA9CA2TSHRMAPK1
Fluoride SCHEMBL29204690 0.75 CA12 (0.55) CA12CA9CA2TSHRMAPK1
SCHEMBL27988339 0.72 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL11650184 0.72 ALDH1A1 (0.43) CA12CA9CA2TSHRMAPK1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
US-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-12-11 US disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
EP-2939675-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT Shin Nippon Biomedical Laboratories, Ltd. (JP) 2015-11-04 EP disclosed
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP disclosed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
US-6028033-A FOR CONTROLLING UNDESIRED VEGETATION BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed
EP-0815083-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996037471-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 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 (8 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-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SLCO1B3, SLC22A8, SLCO4C1 CA12 2943/4885CA9 695/4885CA2 377/4885
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR CA12 4359/4885CA9 3713/4885CA2 1441/4885
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 CA12 4686/4885CA9 4329/4885CA2 2627/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 CA12 2943/4885CA9 695/4885CA2 377/4885
US-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 CA12 4284/4885CA9 4335/4885CA2 1953/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR CA12 3526/4885CA9 3730/4885CA2 2550/4885
US-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 CA12 3449/4885CA9 1818/4885CA2 2026/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 CA12 2848/4885CA9 862/4885CA2 370/4885

“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.